Identification

PhytoHub ID
PHUB000225
Name
Genistein
Systematic Name
Not Available
Synonyms
  • 5,7,4'-Trihydroxyisoflavone
  • Genisteol
  • Prunetol
  • Sophoricol
CAS Number
Not Available
Average Mass
270.24
Monoisotopic Mass
270.052823422
Chemical Formula
C15H10O5
IUPAC Name
5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one
InChI Key
TZBJGXHYKVUXJN-UHFFFAOYSA-N
InChI Identifier
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
SMILES
OC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O
Structure

Calculated Properties

Solubility (ALOGPS)
1.23e-01 g/l
LogS (ALOGPS)
-3.34
LogP (ALOGPS)
3.04
Hydrogen Acceptors
5
Hydrogen Donors
3
Rotatable Bond Count
1
Polar Surface Area
86.99000000000001
Refractivity
71.68289999999999
Polarizability
26.582127831950192
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-5.345613136233476
pKa (strongest acidic)
6.5462698153602235
Number of Rings
3
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Isoflavones

Taxonomy as Metabolite

Metabolite Family
(Poly)phenol metabolites
Metabolite Class
Flavonoid metabolites
Metabolite Sub-class
Isoflavones (parent, host and microbial metabolites)

Taxonomy of its Food Phytochemical Precursor(s)

Food PhytochemicalFamilyClassSub-class
GenistinPolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical
GenisteinPolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical
6''-O-AcetylgenistinPolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical
6''-O-MalonylgenistinPolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical
Biochanin APolyphenolsFlavonoidsIsoflavonesShow Food Phytochemical

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Isoflavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Isoflav-2-enes
Direct Parent Name
Isoflavones
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzene and substituted derivatives", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Organic oxides", "Organooxygen compounds", "Oxacyclic compounds", "Pyranones and derivatives", "Vinylogous acids"]
External Descriptor Annotations
["7-hydroxyisoflavones", "Isoflavonoids", "isoflavones"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyisoflavonoid", "Isoflavone", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol", "Pyran", "Pyranone", "Vinylogous acid"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
GC-MSGC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)PositiveNot AvailableView Spectrum(85.0,0.01001001);(86.0,0.002002002);(87.0,0.006006006);(88.0,0.007007007);(89.0,0.02002002);(90.0,0.005005005);(91.0,0.017017017);(92.0,0.006006006);(93.0,0.01001001);(94.0,0.001001001);(95.0,0.006006006);(97.0,0.002002002);(98.0,0.004004004);(99.0,0.025025025);(100.0,0.002002002);(101.0,0.01001001);(102.0,0.004004004);(103.0,0.022022022);(104.0,0.004004004);(105.0,0.014014014);(106.0,0.002002002);(107.0,0.007007007);(108.0,0.001001001);(109.0,0.005005005);(111.0,0.005005005);(113.0,0.004004004);(114.0,0.001001001);(115.0,0.022022022);(116.0,0.003003003);(117.0,0.009009009);(118.0,0.004004004);(119.0,0.016016016);(120.0,0.002002002);(121.0,0.009009009);(123.0,0.004004004);(124.0,0.003003003);(126.0,0.004004004);(127.0,0.011011011);(128.0,0.004004004);(129.0,0.007007007);(131.0,0.011011011);(132.0,0.004004004);(133.0,0.0660660661);(134.0,0.01001001);(135.0,0.027027027);(136.0,0.001001001);(137.0,0.021021021);(138.0,0.005005005);(139.0,0.014014014);(140.0,0.003003003);(141.0,0.005005005);(142.0,0.004004004);(143.0,0.006006006);(145.0,0.011011011);(146.0,0.003003003);(147.0,0.0730730731);(148.0,0.01001001);(149.0,0.018018018);(150.0,0.015015015);(151.0,0.022022022);(152.0,0.014014014);(153.0,0.008008008);(154.0,0.004004004);(155.0,0.009009009);(156.0,0.002002002);(157.0,0.002002002);(159.0,0.009009009);(160.0,0.003003003);(161.0,0.01001001);(162.0,0.007007007);(163.0,0.025025025);(164.0,0.008008008);(165.0,0.029029029);(166.0,0.007007007);(167.0,0.007007007);(168.0,0.005005005);(169.0,0.009009009);(171.0,0.003003003);(172.0,0.002002002);(173.0,0.005005005);(174.0,0.002002002);(175.0,0.027027027);(176.0,0.014014014);(177.0,0.0520520521);(178.0,0.02002002);(179.0,0.019019019);(180.0,0.001001001);(181.0,0.007007007);(182.0,0.004004004);(183.0,0.012012012);(184.0,0.015015015);(185.0,0.006006006);(188.0,0.001001001);(189.0,0.01001001);(190.0,0.009009009);(191.0,0.016016016);(192.0,0.021021021);(193.0,0.016016016);(194.0,0.006006006);(195.0,0.007007007);(196.0,0.003003003);(197.0,0.002002002);(198.0,0.002002002);(199.0,0.004004004);(200.0,0.001001001);(201.0,0.003003003);(202.0,0.003003003);(203.0,0.006006006);(204.0,0.001001001);(205.0,0.008008008);(207.0,0.016016016);(208.0,0.003003003);(209.0,0.01001001);(210.0,0.002002002);(211.0,0.003003003);(212.0,0.001001001);(213.0,0.013013013);(214.0,0.004004004);(215.0,0.001001001);(218.0,0.003003003);(219.0,0.011011011);(220.0,0.011011011);(221.0,0.016016016);(222.0,0.005005005);(223.0,0.02002002);(224.0,0.007007007);(225.0,0.007007007);(226.0,0.002002002);(227.0,0.01001001);(228.0,0.2692692693);(229.0,0.0740740741);(230.0,0.003003003);(232.0,0.001001001);(233.0,0.003003003);(234.0,0.005005005);(235.0,0.013013013);(236.0,0.01001001);(237.0,0.009009009);(238.0,0.001001001);(239.0,0.01001001);(240.0,0.001001001);(241.0,0.004004004);(247.0,0.003003003);(249.0,0.009009009);(250.0,0.005005005);(251.0,0.006006006);(252.0,0.005005005);(253.0,0.019019019);(254.0,0.005005005);(255.0,0.004004004);(257.0,0.002002002);(259.0,0.004004004);(261.0,0.001001001);(264.0,0.001001001);(265.0,0.003003003);(266.0,0.002002002);(267.0,0.007007007);(269.0,0.01001001);(270.0,0.001001001);(271.0,0.001001001);(273.0,0.002002002);(277.0,0.002002002);(278.0,0.003003003);(279.0,0.007007007);(280.0,0.006006006);(281.0,0.019019019);(282.0,0.008008008);(283.0,0.004004004);(285.0,0.003003003);(290.0,0.001001001);(291.0,0.004004004);(292.0,0.001001001);(293.0,0.004004004);(294.0,0.002002002);(295.0,0.008008008);(296.0,0.005005005);(297.0,0.01001001);(298.0,0.006006006);(299.0,0.005005005);(307.0,0.004004004);(308.0,0.002002002);(309.0,0.025025025);(310.0,0.01001001);(311.0,0.009009009);(312.0,0.003003003);(313.0,0.005005005);(321.0,0.001001001);(323.0,0.009009009);(324.0,0.005005005);(325.0,0.01001001);(326.0,0.003003003);(327.0,0.031031031);(328.0,0.007007007);(329.0,0.002002002);(336.0,0.001001001);(338.0,0.002002002);(339.0,0.007007007);(340.0,0.006006006);(341.0,0.011011011);(342.0,0.004004004);(351.0,0.001001001);(352.0,0.003003003);(353.0,0.008008008);(354.0,0.006006006);(355.0,0.009009009);(356.0,0.002002002);(357.0,0.001001001);(359.0,0.001001001);(361.0,0.001001001);(365.0,0.001001001);(366.0,0.001001001);(367.0,0.007007007);(368.0,0.008008008);(369.0,0.027027027);(370.0,0.039039039);(371.0,0.021021021);(372.0,0.005005005);(374.0,0.001001001);(380.0,0.002002002);(381.0,0.012012012);(382.0,0.009009009);(383.0,0.019019019);(384.0,0.01001001);(385.0,0.002002002);(395.0,0.002002002);(396.0,0.007007007);(397.0,0.018018018);(398.0,0.043043043);(399.0,0.1231231231);(400.0,0.0620620621);(401.0,0.037037037);(402.0,0.012012012);(403.0,0.002002002);(413.0,0.009009009);(414.0,0.006006006);(415.0,0.004004004);(416.0,0.001001001);(425.0,0.003003003);(427.0,0.001001001);(429.0,0.001001001);(430.0,0.002002002);(439.0,0.002002002);(440.0,0.002002002);(441.0,0.011011011);(442.0,0.006006006);(443.0,0.003003003);(446.0,0.001001001);(452.0,0.001001001);(453.0,0.003003003);(454.0,0.001001001);(455.0,0.005005005);(456.0,0.001001001);(457.0,0.001001001);(466.0,0.002002002);(467.0,0.001001001);(468.0,0.011011011);(469.0,0.0580580581);(470.0,0.2702702703);(471.0,1.0);(472.0,0.5745745746);(473.0,0.2672672673);(474.0,0.0900900901);(475.0,0.022022022);(476.0,0.003003003);(477.0,0.002002002);(484.0,0.001001001);(485.0,0.005005005);(486.0,0.009009009);(487.0,0.005005005);(488.0,0.001001001);(496.0,0.001001001)
GC-MSGC-EI-TOFpositiveNot AvailableView Spectrum(85.0,1.001001);(86.0,0.2002);(87.0,0.600601);(88.0,0.700701);(89.0,2.002002);(90.0,0.500501);(91.0,1.701702);(92.0,0.600601);(93.0,1.001001);(94.0,0.1001);(95.0,0.600601);(97.0,0.2002);(98.0,0.4004);(99.0,2.502503);(100.0,0.2002);(101.0,1.001001);(102.0,0.4004);(103.0,2.202202);(104.0,0.4004);(105.0,1.401401);(106.0,0.2002);(107.0,0.700701);(108.0,0.1001);(109.0,0.500501);(111.0,0.500501);(113.0,0.4004);(114.0,0.1001);(115.0,2.202202);(116.0,0.3003);(117.0,0.900901);(118.0,0.4004);(119.0,1.601602);(120.0,0.2002);(121.0,0.900901);(123.0,0.4004);(124.0,0.3003);(126.0,0.4004);(127.0,1.101101);(128.0,0.4004);(129.0,0.700701);(131.0,1.101101);(132.0,0.4004);(133.0,6.606607);(134.0,1.001001);(135.0,2.702703);(136.0,0.1001);(137.0,2.102102);(138.0,0.500501);(139.0,1.401401);(140.0,0.3003);(141.0,0.500501);(142.0,0.4004);(143.0,0.600601);(145.0,1.101101);(146.0,0.3003);(147.0,7.307307);(148.0,1.001001);(149.0,1.801802);(150.0,1.501502);(151.0,2.202202);(152.0,1.401401);(153.0,0.800801);(154.0,0.4004);(155.0,0.900901);(156.0,0.2002);(157.0,0.2002);(159.0,0.900901);(160.0,0.3003);(161.0,1.001001);(162.0,0.700701);(163.0,2.502503);(164.0,0.800801);(165.0,2.902903);(166.0,0.700701);(167.0,0.700701);(168.0,0.500501);(169.0,0.900901);(171.0,0.3003);(172.0,0.2002);(173.0,0.500501);(174.0,0.2002);(175.0,2.702703);(176.0,1.401401);(177.0,5.205205);(178.0,2.002002);(179.0,1.901902);(180.0,0.1001);(181.0,0.700701);(182.0,0.4004);(183.0,1.201201);(184.0,1.501502);(185.0,0.600601);(188.0,0.1001);(189.0,1.001001);(190.0,0.900901);(191.0,1.601602);(192.0,2.102102);(193.0,1.601602);(194.0,0.600601);(195.0,0.700701);(196.0,0.3003);(197.0,0.2002);(198.0,0.2002);(199.0,0.4004);(200.0,0.1001);(201.0,0.3003);(202.0,0.3003);(203.0,0.600601);(204.0,0.1001);(205.0,0.800801);(207.0,1.601602);(208.0,0.3003);(209.0,1.001001);(210.0,0.2002);(211.0,0.3003);(212.0,0.1001);(213.0,1.301301);(214.0,0.4004);(215.0,0.1001);(218.0,0.3003);(219.0,1.101101);(220.0,1.101101);(221.0,1.601602);(222.0,0.500501);(223.0,2.002002);(224.0,0.700701);(225.0,0.700701);(226.0,0.2002);(227.0,1.001001);(228.0,26.926927);(229.0,7.407407);(230.0,0.3003);(232.0,0.1001);(233.0,0.3003);(234.0,0.500501);(235.0,1.301301);(236.0,1.001001);(237.0,0.900901);(238.0,0.1001);(239.0,1.001001);(240.0,0.1001);(241.0,0.4004);(247.0,0.3003);(249.0,0.900901);(250.0,0.500501);(251.0,0.600601);(252.0,0.500501);(253.0,1.901902);(254.0,0.500501);(255.0,0.4004);(257.0,0.2002);(259.0,0.4004);(261.0,0.1001);(264.0,0.1001);(265.0,0.3003);(266.0,0.2002);(267.0,0.700701);(269.0,1.001001);(270.0,0.1001);(271.0,0.1001);(273.0,0.2002);(277.0,0.2002);(278.0,0.3003);(279.0,0.700701);(280.0,0.600601);(281.0,1.901902);(282.0,0.800801);(283.0,0.4004);(285.0,0.3003);(290.0,0.1001);(291.0,0.4004);(292.0,0.1001);(293.0,0.4004);(294.0,0.2002);(295.0,0.800801);(296.0,0.500501);(297.0,1.001001);(298.0,0.600601);(299.0,0.500501);(307.0,0.4004);(308.0,0.2002);(309.0,2.502503);(310.0,1.001001);(311.0,0.900901);(312.0,0.3003);(313.0,0.500501);(321.0,0.1001);(323.0,0.900901);(324.0,0.500501);(325.0,1.001001);(326.0,0.3003);(327.0,3.103103);(328.0,0.700701);(329.0,0.2002);(336.0,0.1001);(338.0,0.2002);(339.0,0.700701);(340.0,0.600601);(341.0,1.101101);(342.0,0.4004);(351.0,0.1001);(352.0,0.3003);(353.0,0.800801);(354.0,0.600601);(355.0,0.900901);(356.0,0.2002);(357.0,0.1001);(359.0,0.1001);(361.0,0.1001);(365.0,0.1001);(366.0,0.1001);(367.0,0.700701);(368.0,0.800801);(369.0,2.702703);(370.0,3.903904);(371.0,2.102102);(372.0,0.500501);(374.0,0.1001);(380.0,0.2002);(381.0,1.201201);(382.0,0.900901);(383.0,1.901902);(384.0,1.001001);(385.0,0.2002);(395.0,0.2002);(396.0,0.700701);(397.0,1.801802);(398.0,4.304304);(399.0,12.312312);(400.0,6.206206);(401.0,3.703704);(402.0,1.201201);(403.0,0.2002);(413.0,0.900901);(414.0,0.600601);(415.0,0.4004);(416.0,0.1001);(425.0,0.3003);(427.0,0.1001);(429.0,0.1001);(430.0,0.2002);(439.0,0.2002);(440.0,0.2002);(441.0,1.101101);(442.0,0.600601);(443.0,0.3003);(446.0,0.1001);(452.0,0.1001);(453.0,0.3003);(454.0,0.1001);(455.0,0.500501);(456.0,0.1001);(457.0,0.1001);(466.0,0.2002);(467.0,0.1001);(468.0,1.101101);(469.0,5.805806);(470.0,27.027027);(471.0,100.0);(472.0,57.457457);(473.0,26.726727);(474.0,9.009009);(475.0,2.202202);(476.0,0.3003);(477.0,0.2002);(484.0,0.1001);(485.0,0.500501);(486.0,0.900901);(487.0,0.500501);(488.0,0.1001);(496.0,0.1001)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(104.0256639,1.911997781);(105.0334885,2.804052996);(106.0413131,1.717301997);(110.0362272,2.032243759);(111.0440518,1.160401769);(117.0334885,1.374960605);(118.0413131,3.092564611);(119.0491377,2.2582065);(132.020578,2.045673362);(133.0284026,1.254230105);(134.0362272,2.388171473);(135.0440518,1.763857786);(136.0154921,3.258692323);(137.0233167,2.242090439);(152.0104062,1.319578279);(160.0154921,1.16331743);(200.0467905,2.67151817);(202.0624397,1.321477095);(213.0546151,1.334478854);(226.0260554,3.228746178);(227.03388,1.270818908);(228.0417046,2.632011916);(229.0495292,1.50992843);(240.0417046,7.034391445);(241.0495292,7.936643069);(242.0529175,1.266407672);(242.0573538,19.49700417);(243.0607448,3.113957632);(255.0287941,1.255806288);(270.0522679,12.07177344);(271.0556584,2.067695516)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(73.04679982,9.326156712);(99.02606472,0.8694516358);(113.0417139,1.479350071);(115.0573631,1.948068706);(190.0808369,1.004287265);(191.0886615,1.632087936);(205.0679264,0.9839962107);(207.0835756,1.461487038);(237.0761518,0.9100505438);(252.0996256,0.8856513141);(253.0710659,1.31280391);(259.0784897,0.9558138146);(268.0945397,1.001772646);(269.1023643,1.290058424);(297.0972784,0.934170395);(372.1207522,1.356314538);(373.1285768,1.826883388);(399.1078417,3.57775755);(400.1100719,1.182348464);(412.1156663,0.9717706012);(413.1234909,3.817959005);(414.1257615,1.305611779);(414.1313155,3.230730118);(415.1335879,1.105284207);(415.1391401,1.877822101);(443.1524514,0.954696805);(458.1759252,1.604527264);(470.1395409,1.002895808);(471.1473655,5.257275394);(472.1493741,2.186438537);(473.1477092,1.010624446)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(104.0256639,0.9404937628);(105.0334885,1.892212786);(106.0413131,1.362518841);(110.0362272,1.37387519);(117.0334885,1.231677097);(118.0413131,2.745711112);(119.0491377,1.626254622);(132.020578,1.233941676);(134.0362272,1.21694054);(135.0440518,0.871120364);(136.0154921,1.556822281);(137.0233167,1.161465038);(152.0104062,1.171578026);(153.0182308,0.8315529381);(200.0104062,0.7862588053);(200.0467905,1.480103403);(202.0624397,0.8316782056);(226.0260554,2.72120402);(227.03388,1.101188578);(228.0417046,2.378214146);(229.0495292,1.350278745);(240.0417046,4.533578309);(241.0450901,0.7227186965);(241.0495292,6.260631222);(242.0529175,0.9989754285);(242.0573538,12.25024136);(243.0607448,1.956543285);(254.0209695,0.9596713789);(255.0287941,1.114958525);(270.0522679,11.92123907);(271.0556584,2.041911463)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(104.0256639,0.9404937628);(105.0334885,1.892212786);(106.0413131,1.362518841);(110.0362272,1.37387519);(117.0334885,1.231677097);(118.0413131,2.745711112);(119.0491377,1.626254622);(132.020578,1.233941676);(134.0362272,1.21694054);(135.0440518,0.871120364);(136.0154921,1.556822281);(137.0233167,1.161465038);(152.0104062,1.171578026);(153.0182308,0.8315529381);(200.0104062,0.7862588053);(200.0467905,1.480103403);(202.0624397,0.8316782056);(226.0260554,2.72120402);(227.03388,1.101188578);(228.0417046,2.378214146);(229.0495292,1.350278745);(240.0417046,4.533578309);(241.0450901,0.7227186965);(241.0495292,6.260631222);(242.0529175,0.9989754285);(242.0573538,12.25024136);(243.0607448,1.956543285);(254.0209695,0.9596713789);(255.0287941,1.114958525);(270.0522679,11.92123907);(271.0556584,2.041911463)
LC-MS/MSLC-APPI-QQ (API2000)PositiveNot AvailableView Spectrum(36.400002,0.001001001);(37.25,0.001001001);(37.825,0.001001001);(39.059868,0.004004004);(41.091268,0.012012012);(43.069349,0.013013013);(44.099998,0.001001001);(44.400002,0.001001001);(44.900002,0.001001001);(45.099998,0.001001001);(48.299999,0.001001001);(49.099998,0.001001001);(49.400002,0.001001001);(49.799999,0.001001001);(50.099998,0.001001001);(51.137963,0.003003003);(53.119259,0.01001001);(55.0664,0.023023023);(56.325,0.001001001);(56.599998,0.001001001);(56.900002,0.001001001);(57.271428,0.001001001);(58.450001,0.001001001);(58.900002,0.001001001);(59.299999,0.001001001);(59.5,0.001001001);(59.700001,0.001001001);(60.5,0.001001001);(63.104786,0.016016016);(65.093141,0.4414414414);(67.090017,0.1031031031);(69.059913,0.2972972973);(71.080986,0.004004004);(71.900002,0.001001001);(72.300003,0.001001001);(72.5,0.001001001);(72.699997,0.001001001);(72.900002,0.001001001);(73.25,0.001001001);(73.862502,0.001001001);(74.996597,0.007007007);(77.075363,0.0640640641);(79.050668,0.039039039);(81.073778,0.033033033);(83.039303,0.016016016);(85.023244,0.005005005);(85.900002,0.001001001);(87.099998,0.001001001);(89.112513,0.0610610611);(91.068282,1.0);(93.068106,0.03003003);(95.031818,0.022022022);(97.079712,0.028028028);(98.099998,0.001001001);(98.400002,0.001001001);(98.724998,0.001001001);(99.337502,0.001001001);(101.068286,0.009009009);(103.081352,0.044044044);(105.016916,0.026026026);(107.03872,0.0780780781);(109.05,0.007007007);(111.02792,0.009009009);(115.078045,0.2962962963);(116.128161,0.016016016);(117.114504,0.021021021);(119.05942,0.048048048);(121.04529,0.0590590591);(123.084242,0.002002002);(124.088236,0.004004004);(125.063498,0.007007007);(127.06609,0.0570570571);(128.089379,0.035035035);(129.107457,0.013013013);(131.121892,0.047047047);(132.149068,0.002002002);(133.12958,0.002002002);(135.064093,0.016016016);(137.058593,0.007007007);(139.069057,0.023023023);(141.132479,0.1291291291);(144.08672,0.029029029);(145.065088,0.028028028);(147.082718,0.014014014);(149.063964,0.017017017);(150.1055,0.021021021);(151.117658,0.027027027);(153.041459,0.1921921922);(155.055828,0.036036036);(157.12561,0.008008008);(159.072567,0.012012012);(161.107317,0.001001001);(161.825001,0.001001001);(163.061464,0.011011011);(164.199997,0.001001001);(165.059616,0.005005005);(168.082711,0.04004004);(169.080082,0.0540540541);(171.037609,0.009009009);(172.067151,0.004004004);(173.113669,0.004004004);(174.090001,0.001001001);(175.070002,0.001001001);(175.899994,0.001001001);(176.100006,0.001001001);(176.300003,0.001001001);(176.812502,0.001001001);(178.094118,0.001001001);(179.118087,0.007007007);(181.12,0.005005005);(183.115433,0.004004004);(184.090477,0.003003003);(185.099999,0.006006006);(187.102219,0.007007007);(188.0875,0.001001001);(189.157896,0.001001001);(189.600006,0.001001001);(190.040002,0.001001001);(191.110294,0.004004004);(191.9,0.001001001);(192.650002,0.001001001);(193.050003,0.001001001);(193.300003,0.001001001);(193.5,0.001001001);(195.20404,0.001001001);(197.140832,0.041041041);(198.050932,0.002002002);(200.09559,0.015015015);(201.899994,0.001001001);(203.112501,0.002002002);(204.199997,0.001001001);(205.030771,0.001001001);(205.600006,0.001001001);(205.899994,0.001001001);(207.199997,0.001001001);(208.199997,0.001001001);(209.114288,0.001001001);(209.874996,0.001001001);(210.133336,0.001001001);(210.399994,0.001001001);(211.111817,0.001001001);(211.899994,0.001001001);(213.086692,0.014014014);(215.126297,0.011011011);(215.936667,0.001001001);(216.313638,0.001001001);(217.0,0.001001001);(217.5,0.001001001);(219.199997,0.001001001);(219.399994,0.001001001);(222.300003,0.001001001);(222.849998,0.001001001);(223.379996,0.001001001);(224.128845,0.001001001);(225.100953,0.003003003);(226.165875,0.002002002);(227.171999,0.001001001);(228.122989,0.002002002);(229.099997,0.001001001);(230.100006,0.001001001);(230.300003,0.001001001);(233.600006,0.001001001);(233.800003,0.001001001);(234.0,0.001001001);(235.023077,0.001001001);(236.300003,0.001001001);(236.899994,0.001001001);(237.600006,0.001001001);(238.75,0.001001001);(239.5,0.001001001);(239.800003,0.001001001);(240.050003,0.001001001);(240.399994,0.001001001);(241.17072,0.003003003);(242.205334,0.003003003);(243.144444,0.003003003);(244.300003,0.001001001);(245.399994,0.001001001);(249.75,0.001001001);(250.899994,0.001001001);(251.399994,0.001001001);(252.114285,0.001001001);(253.127248,0.005005005);(254.300003,0.001001001);(254.75,0.001001001);(255.300003,0.001001001);(255.699997,0.001001001);(256.0,0.001001001);(256.5,0.001001001);(256.700012,0.001001001);(268.299988,0.001001001);(269.125,0.001001001);(270.0,0.001001001);(271.14655,0.001001001);(272.0,0.001001001);(284.0,0.001001001);(285.5,0.001001001);(298.200012,0.001001001)
LC-MS/MSLC-APPI-QQ (API2000)PositiveNot AvailableView Spectrum(31.349999,0.001001001);(36.599998,0.001001001);(38.483334,0.001001001);(39.055883,0.001001001);(40.299999,0.001001001);(41.10773,0.003003003);(43.052921,0.008008008);(43.799999,0.001001001);(44.0,0.001001001);(44.599998,0.001001001);(44.900002,0.001001001);(47.200001,0.001001001);(49.5,0.001001001);(49.85,0.001001001);(51.144,0.001001001);(52.0,0.001001001);(53.097794,0.004004004);(55.080157,0.013013013);(55.900002,0.001001001);(56.299999,0.001001001);(56.728571,0.001001001);(57.233334,0.001001001);(58.200001,0.001001001);(58.5,0.001001001);(59.049999,0.001001001);(59.299999,0.001001001);(60.5,0.001001001);(61.0,0.001001001);(61.700001,0.001001001);(63.101198,0.005005005);(65.092941,0.1431431431);(67.089419,0.0860860861);(69.049032,0.1991991992);(71.057534,0.004004004);(72.199997,0.001001001);(72.599998,0.001001001);(72.800003,0.001001001);(73.300003,0.001001001);(73.699997,0.001001001);(73.900002,0.001001001);(74.333333,0.001001001);(75.040506,0.001001001);(75.893752,0.001001001);(77.050301,0.024024024);(79.039639,0.021021021);(81.084984,0.031031031);(83.064815,0.011011011);(84.037499,0.001001001);(85.047742,0.004004004);(86.149998,0.001001001);(86.400002,0.001001001);(89.102484,0.0520520521);(91.064081,1.0);(93.066816,0.022022022);(95.031446,0.031031031);(97.067584,0.024024024);(98.124998,0.001001001);(98.5,0.001001001);(98.699997,0.001001001);(98.900002,0.001001001);(101.061777,0.003003003);(103.062026,0.037037037);(105.039798,0.031031031);(107.039128,0.1031031031);(109.054393,0.021021021);(111.026797,0.018018018);(111.900002,0.001001001);(115.062987,0.1691691692);(117.090764,0.033033033);(119.056655,0.1351351351);(121.023286,0.1001001001);(123.03425,0.005005005);(124.039744,0.003003003);(125.047479,0.007007007);(127.079047,0.044044044);(128.090608,0.032032032);(129.104258,0.025025025);(131.114539,0.0870870871);(133.083284,0.01001001);(135.052128,0.038038038);(137.051467,0.024024024);(139.095402,0.01001001);(141.124505,0.2232232232);(145.042536,0.0900900901);(147.105134,0.043043043);(149.041054,0.0900900901);(150.08308,0.027027027);(153.035049,0.5295295295);(155.065631,0.046046046);(157.114524,0.015015015);(159.08031,0.0610610611);(161.049431,0.003003003);(163.095954,0.014014014);(165.036596,0.032032032);(166.23,0.001001001);(169.064195,0.1621621622);(171.05672,0.011011011);(173.116147,0.021021021);(174.128572,0.004004004);(175.093651,0.013013013);(175.955553,0.001001001);(177.08572,0.001001001);(178.088917,0.005005005);(179.130448,0.009009009);(180.182225,0.001001001);(181.140996,0.008008008);(183.095902,0.022022022);(184.097955,0.007007007);(185.112064,0.014014014);(187.095528,0.034034034);(188.178574,0.001001001);(188.923529,0.001001001);(189.399994,0.001001001);(191.071057,0.016016016);(191.899994,0.001001001);(192.150002,0.001001001);(192.399994,0.001001001);(192.883329,0.001001001);(193.300003,0.001001001);(194.0,0.001001001);(194.275002,0.001001001);(197.128201,0.1571571572);(200.084816,0.042042042);(201.060406,0.017017017);(203.113907,0.005005005);(204.100001,0.001001001);(205.058974,0.001001001);(207.097261,0.002002002);(207.941379,0.001001001);(208.319232,0.001001001);(209.110344,0.001001001);(209.800003,0.001001001);(211.039407,0.007007007);(213.09469,0.029029029);(215.102885,0.1391391391);(217.158335,0.001001001);(218.300003,0.001001001);(219.100006,0.001001001);(220.5,0.001001001);(221.0,0.001001001);(221.199997,0.001001001);(221.5,0.001001001);(221.699997,0.001001001);(222.739999,0.001001001);(223.276921,0.001001001);(225.121244,0.019019019);(226.091631,0.007007007);(227.135547,0.004004004);(228.076898,0.009009009);(229.143434,0.006006006);(230.0,0.001001001);(230.399994,0.001001001);(230.600006,0.001001001);(230.800003,0.001001001);(231.0,0.001001001);(233.899994,0.001001001);(234.199997,0.001001001);(234.399994,0.001001001);(235.058948,0.001001001);(235.699997,0.001001001);(236.212502,0.001001001);(236.899994,0.001001001);(237.5,0.001001001);(238.0,0.001001001);(238.600006,0.001001001);(239.0,0.001001001);(239.399994,0.001001001);(239.600006,0.001001001);(240.1625,0.001001001);(241.178454,0.006006006);(242.204176,0.013013013);(243.181278,0.0580580581);(244.5,0.001001001);(245.0,0.001001001);(245.300003,0.001001001);(246.899994,0.001001001);(247.199997,0.001001001);(247.399994,0.001001001);(248.600006,0.001001001);(249.199997,0.001001001);(250.5,0.001001001);(251.186666,0.001001001);(253.123928,0.0540540541);(254.250002,0.001001001);(255.0,0.001001001);(255.366664,0.001001001);(255.600006,0.001001001);(256.075001,0.001001001);(259.5,0.001001001);(261.200012,0.001001001);(264.0,0.001001001);(266.0,0.001001001);(267.5,0.001001001);(267.899994,0.001001001);(269.05349,0.001001001);(271.118409,0.0600600601);(272.550003,0.001001001);(274.799988,0.001001001);(279.299988,0.001001001);(284.299988,0.001001001)
LC-MS/MSLC-APPI-QQ (API2000)PositiveNot AvailableView Spectrum(37.599998,0.001001001);(38.200001,0.001001001);(38.5,0.001001001);(39.233334,0.001001001);(40.299999,0.001001001);(41.104167,0.001001001);(41.800001,0.001001001);(42.371429,0.001001001);(43.056329,0.003003003);(43.700001,0.001001001);(44.900002,0.001001001);(45.200001,0.001001001);(50.599998,0.001001001);(51.200001,0.001001001);(52.0,0.001001001);(53.064444,0.001001001);(53.916668,0.001001001);(55.017355,0.004004004);(55.700001,0.001001001);(56.799999,0.001001001);(57.5,0.001001001);(59.099998,0.001001001);(60.0,0.001001001);(60.700001,0.001001001);(61.0,0.001001001);(61.94,0.001001001);(62.400002,0.001001001);(63.0025,0.001001001);(65.078759,0.021021021);(67.095489,0.032032032);(69.051605,0.0800800801);(70.199997,0.001001001);(71.040259,0.003003003);(71.900002,0.001001001);(72.099998,0.001001001);(73.0,0.001001001);(73.400002,0.001001001);(73.75,0.001001001);(74.300003,0.001001001);(74.949999,0.001001001);(75.950001,0.001001001);(77.066071,0.008008008);(77.800003,0.001001001);(78.19,0.001001001);(79.03149,0.004004004);(81.074331,0.012012012);(81.983334,0.001001001);(83.041,0.003003003);(83.800003,0.001001001);(84.0,0.001001001);(85.058334,0.002002002);(86.300003,0.001001001);(86.5,0.001001001);(86.962501,0.001001001);(89.091536,0.024024024);(91.05887,0.5015015015);(93.073567,0.011011011);(95.004933,0.021021021);(97.054959,0.013013013);(98.0,0.001001001);(98.5,0.001001001);(98.950001,0.001001001);(99.699997,0.001001001);(100.199997,0.001001001);(100.400002,0.001001001);(101.111904,0.001001001);(103.055402,0.016016016);(105.01016,0.032032032);(107.034447,0.0590590591);(109.04432,0.026026026);(111.023237,0.039039039);(112.400002,0.001001001);(113.122581,0.001001001);(115.066125,0.041041041);(117.084985,0.034034034);(119.052267,0.1681681682);(121.021607,0.0880880881);(122.996939,0.01001001);(125.028713,0.007007007);(127.084533,0.019019019);(128.109472,0.022022022);(129.093232,0.026026026);(131.110395,0.1031031031);(133.076123,0.024024024);(135.038045,0.04004004);(137.030576,0.036036036);(139.093163,0.004004004);(141.126873,0.1741741742);(145.029824,0.2112112112);(147.099713,0.0730730731);(149.043307,0.2852852853);(153.029694,0.97997998);(155.052955,0.031031031);(155.938458,0.001001001);(157.130192,0.017017017);(159.075896,0.1601601602);(161.120588,0.005005005);(163.076169,0.012012012);(165.039487,0.1141141141);(169.069226,0.2432432432);(171.053978,0.006006006);(173.096607,0.046046046);(175.109615,0.031031031);(176.300003,0.001001001);(177.122807,0.004004004);(178.114065,0.01001001);(179.066885,0.005005005);(181.073514,0.013013013);(183.091283,0.035035035);(185.100939,0.022022022);(187.099225,0.1081081081);(188.0,0.001001001);(189.157893,0.001001001);(191.073609,0.024024024);(192.0,0.001001001);(192.199997,0.001001001);(193.054545,0.001001001);(197.121989,0.2642642643);(200.098835,0.0570570571);(201.093903,0.046046046);(203.094455,0.009009009);(204.25,0.001001001);(205.015928,0.002002002);(206.150002,0.001001001);(207.050487,0.002002002);(208.081816,0.001001001);(209.10875,0.001001001);(211.075344,0.015015015);(213.086147,0.038038038);(215.098164,0.6216216216);(217.123256,0.002002002);(217.800003,0.001001001);(218.899994,0.001001001);(219.100006,0.001001001);(219.449997,0.001001001);(221.100006,0.001001001);(221.300003,0.001001001);(221.699997,0.001001001);(222.100006,0.001001001);(223.091665,0.001001001);(225.11513,0.0640640641);(226.113707,0.017017017);(227.14308,0.016016016);(228.079276,0.018018018);(229.128691,0.017017017);(230.349998,0.001001001);(231.062504,0.001001001);(231.300003,0.001001001);(233.899994,0.001001001);(235.049463,0.003003003);(236.005,0.001001001);(237.25,0.001001001);(237.899994,0.001001001);(238.25,0.001001001);(238.674999,0.001001001);(239.121053,0.001001001);(241.147234,0.008008008);(243.17678,0.3513513514);(244.699997,0.001001001);(245.0,0.001001001);(245.300003,0.001001001);(245.650002,0.001001001);(246.399994,0.001001001);(247.125004,0.001001001);(247.550003,0.001001001);(248.199997,0.001001001);(248.800003,0.001001001);(249.600006,0.001001001);(250.0,0.001001001);(250.739999,0.001001001);(251.199997,0.001001001);(253.117934,0.2252252252);(255.025002,0.001001001);(256.316671,0.001001001);(260.5,0.001001001);(260.700012,0.001001001);(263.299988,0.001001001);(264.200012,0.001001001);(265.200012,0.001001001);(265.799988,0.001001001);(266.0,0.001001001);(266.399994,0.001001001);(266.600006,0.001001001);(266.799988,0.001001001);(267.200012,0.001001001);(267.600006,0.001001001);(268.177785,0.001001001);(268.5,0.001001001);(269.195536,0.002002002);(271.122879,1.0);(273.100006,0.001001001);(284.324989,0.001001001)
LC-MS/MSLC-APPI-QQ (API2000)PositiveNot AvailableView Spectrum(39.099998,0.001001001);(40.900002,0.001001001);(41.299999,0.001001001);(41.950001,0.001001001);(42.200001,0.001001001);(43.016668,0.001001001);(44.0,0.001001001);(45.5,0.001001001);(50.299999,0.001001001);(50.799999,0.001001001);(51.200001,0.001001001);(51.950001,0.001001001);(52.299999,0.001001001);(52.799999,0.001001001);(53.200001,0.001001001);(53.799999,0.001001001);(54.978948,0.001001001);(55.5,0.001001001);(57.0,0.001001001);(58.700001,0.001001001);(59.200001,0.001001001);(61.599998,0.001001001);(61.799999,0.001001001);(62.200001,0.001001001);(62.5,0.001001001);(63.166667,0.001001001);(64.0,0.001001001);(64.5,0.001001001);(65.129786,0.001001001);(65.800003,0.001001001);(66.025,0.001001001);(67.056081,0.001001001);(67.800003,0.001001001);(69.018864,0.002002002);(69.800003,0.001001001);(70.649998,0.001001001);(71.0,0.001001001);(71.233332,0.001001001);(73.300003,0.001001001);(73.800003,0.001001001);(74.400002,0.001001001);(75.199997,0.001001001);(75.400002,0.001001001);(75.850002,0.001001001);(76.099998,0.001001001);(76.300003,0.001001001);(77.115687,0.001001001);(77.971429,0.001001001);(78.350002,0.001001001);(79.400002,0.001001001);(79.699997,0.001001001);(80.0,0.001001001);(81.039394,0.001001001);(81.699997,0.001001001);(81.900002,0.001001001);(82.099998,0.001001001);(82.5,0.001001001);(82.883335,0.001001001);(83.25,0.001001001);(84.199997,0.001001001);(85.199997,0.001001001);(85.699997,0.001001001);(85.900002,0.001001001);(86.099998,0.001001001);(86.649998,0.001001001);(87.0,0.001001001);(87.350002,0.001001001);(87.599998,0.001001001);(89.092307,0.001001001);(91.054001,0.014014014);(92.0,0.001001001);(92.400002,0.001001001);(93.093103,0.001001001);(94.039999,0.001001001);(94.976316,0.001001001);(96.033333,0.001001001);(97.048001,0.001001001);(98.5,0.001001001);(99.099998,0.001001001);(100.300003,0.001001001);(100.649998,0.001001001);(101.383335,0.001001001);(102.0,0.001001001);(103.044,0.001001001);(103.900002,0.001001001);(105.018773,0.001001001);(107.02,0.002002002);(107.780002,0.001001001);(109.033553,0.001001001);(111.015721,0.004004004);(111.800003,0.001001001);(112.699999,0.001001001);(113.099998,0.001001001);(113.300003,0.001001001);(113.599998,0.001001001);(113.900002,0.001001001);(115.132847,0.001001001);(116.037499,0.001001001);(117.071491,0.002002002);(119.047905,0.014014014);(121.044485,0.005005005);(121.983334,0.001001001);(123.047368,0.001001001);(124.970834,0.001001001);(127.032743,0.001001001);(128.14717,0.001001001);(129.065417,0.001001001);(130.0,0.001001001);(131.124665,0.006006006);(133.082695,0.004004004);(135.04104,0.002002002);(135.844999,0.001001001);(137.072223,0.002002002);(139.119353,0.001001001);(139.790909,0.001001001);(141.114965,0.007007007);(142.100006,0.001001001);(145.021146,0.035035035);(147.109553,0.006006006);(149.032796,0.0520520521);(153.030056,0.1331331331);(155.00566,0.001001001);(156.100006,0.001001001);(157.144891,0.001001001);(159.075907,0.024024024);(160.234999,0.001001001);(161.041466,0.001001001);(161.699997,0.001001001);(161.949997,0.001001001);(163.091953,0.001001001);(165.028292,0.017017017);(166.199997,0.001001001);(167.028262,0.001001001);(169.075851,0.02002002);(169.9475,0.001001001);(171.081818,0.001001001);(173.131343,0.006006006);(175.1096,0.003003003);(175.949997,0.001001001);(177.09077,0.001001001);(178.062143,0.001001001);(179.132558,0.001001001);(181.13595,0.002002002);(182.0,0.001001001);(183.098613,0.003003003);(185.068498,0.003003003);(187.104394,0.017017017);(187.899994,0.001001001);(188.150002,0.001001001);(188.800003,0.001001001);(189.016668,0.001001001);(189.399994,0.001001001);(189.800003,0.001001001);(190.100006,0.001001001);(191.09274,0.001001001);(192.100006,0.001001001);(192.699997,0.001001001);(192.899994,0.001001001);(193.320001,0.001001001);(193.699997,0.001001001);(193.949997,0.001001001);(194.399994,0.001001001);(197.116734,0.028028028);(200.090564,0.005005005);(201.059219,0.006006006);(202.163157,0.001001001);(203.087729,0.002002002);(205.052173,0.001001001);(207.11091,0.001001001);(207.800003,0.001001001);(208.087505,0.001001001);(208.5,0.001001001);(209.09403,0.001001001);(210.178947,0.001001001);(211.047237,0.002002002);(213.097474,0.004004004);(215.098732,0.1611611612);(217.045836,0.001001001);(218.300003,0.001001001);(218.75,0.001001001);(219.300003,0.001001001);(220.899994,0.001001001);(221.699997,0.001001001);(222.399994,0.001001001);(222.600006,0.001001001);(225.100905,0.014014014);(226.075605,0.002002002);(227.14185,0.004004004);(228.101442,0.002002002);(229.075579,0.004004004);(230.100006,0.001001001);(230.300003,0.001001001);(230.849998,0.001001001);(233.600006,0.001001001);(234.399994,0.001001001);(235.068295,0.001001001);(236.130003,0.001001001);(236.800003,0.001001001);(237.050003,0.001001001);(237.300003,0.001001001);(237.5,0.001001001);(238.0,0.001001001);(238.300003,0.001001001);(238.5,0.001001001);(239.077776,0.001001001);(239.699997,0.001001001);(239.949997,0.001001001);(241.141353,0.001001001);(243.165631,0.1091091091);(244.5,0.001001001);(245.199997,0.001001001);(246.0,0.001001001);(246.849998,0.001001001);(247.349998,0.001001001);(247.600006,0.001001001);(249.399994,0.001001001);(250.0,0.001001001);(250.199997,0.001001001);(250.8,0.001001001);(253.104857,0.0580580581);(254.899994,0.001001001);(255.300003,0.001001001);(256.0,0.001001001);(256.366659,0.001001001);(257.299988,0.001001001);(258.0,0.001001001);(259.700012,0.001001001);(259.899994,0.001001001);(260.299998,0.001001001);(261.0,0.001001001);(261.799988,0.001001001);(262.5,0.001001001);(262.700012,0.001001001);(263.600006,0.001001001);(263.899994,0.001001001);(264.600006,0.001001001);(265.200012,0.001001001);(265.5,0.001001001);(265.949997,0.001001001);(266.200012,0.001001001);(266.433329,0.001001001);(266.899994,0.001001001);(267.200012,0.001001001);(268.200012,0.001001001);(271.112508,1.0);(273.849991,0.001001001);(274.299988,0.001001001);(275.0,0.001001001);(275.200012,0.001001001);(279.399994,0.001001001);(284.0,0.001001001);(284.299988,0.001001001);(285.200012,0.001001001)
LC-MS/MSLC-APPI-QQ (API2000)PositiveNot AvailableView Spectrum(43.200001,0.001001001);(45.299999,0.001001001);(53.0,0.001001001);(55.299999,0.001001001);(57.299999,0.001001001);(64.699997,0.001001001);(65.099998,0.001001001);(65.400002,0.001001001);(67.099998,0.001001001);(67.400002,0.001001001);(67.900002,0.001001001);(68.099998,0.001001001);(68.300003,0.001001001);(68.599998,0.001001001);(69.199999,0.001001001);(71.199997,0.001001001);(71.400002,0.001001001);(75.400002,0.001001001);(76.099998,0.001001001);(76.400002,0.001001001);(76.800003,0.001001001);(78.950001,0.001001001);(81.199997,0.001001001);(82.850002,0.001001001);(86.900002,0.001001001);(88.800003,0.001001001);(89.099998,0.001001001);(89.75,0.001001001);(90.0,0.001001001);(90.375002,0.001001001);(90.893752,0.001001001);(91.127776,0.001001001);(91.400002,0.001001001);(91.950001,0.001001001);(92.800003,0.001001001);(93.199997,0.001001001);(94.099998,0.001001001);(94.800003,0.001001001);(95.149998,0.001001001);(96.900002,0.001001001);(97.300003,0.001001001);(97.5,0.001001001);(97.900002,0.001001001);(102.5,0.001001001);(102.800003,0.001001001);(104.599998,0.001001001);(104.900002,0.001001001);(105.400002,0.001001001);(106.5,0.001001001);(106.900002,0.001001001);(107.199997,0.001001001);(107.400002,0.001001001);(108.099998,0.001001001);(108.900002,0.001001001);(109.099998,0.001001001);(109.5,0.001001001);(110.599998,0.001001001);(111.133331,0.001001001);(111.5,0.001001001);(113.099998,0.001001001);(114.5,0.001001001);(115.0,0.001001001);(115.300003,0.001001001);(115.5,0.001001001);(115.950001,0.001001001);(117.300003,0.001001001);(117.900002,0.001001001);(118.149998,0.001001001);(118.699997,0.001001001);(119.199997,0.001001001);(119.900002,0.001001001);(120.699997,0.001001001);(121.0,0.001001001);(121.900002,0.001001001);(122.599998,0.001001001);(123.199997,0.001001001);(123.5,0.001001001);(123.950001,0.001001001);(125.099998,0.001001001);(126.800003,0.001001001);(127.400002,0.001001001);(127.950001,0.001001001);(128.899994,0.001001001);(130.699997,0.001001001);(130.966665,0.001001001);(131.800003,0.001001001);(132.399994,0.001001001);(132.849998,0.001001001);(133.200003,0.001001001);(133.899994,0.001001001);(134.699997,0.001001001);(134.899994,0.001001001);(135.300003,0.001001001);(135.600006,0.001001001);(136.766668,0.001001001);(137.100006,0.001001001);(138.800003,0.001001001);(140.5,0.001001001);(141.144446,0.001001001);(142.600006,0.001001001);(143.399994,0.001001001);(143.849998,0.001001001);(144.981817,0.002002002);(146.300003,0.001001001);(147.266668,0.001001001);(147.600006,0.001001001);(147.800003,0.001001001);(148.100006,0.001001001);(149.024617,0.003003003);(150.399994,0.001001001);(150.699997,0.001001001);(151.100006,0.001001001);(151.300003,0.001001001);(151.5,0.001001001);(151.800003,0.001001001);(152.999442,0.007007007);(154.650002,0.001001001);(155.300003,0.001001001);(156.399994,0.001001001);(157.0,0.001001001);(157.300003,0.001001001);(158.0,0.001001001);(158.199997,0.001001001);(159.07931,0.001001001);(159.800003,0.001001001);(160.199997,0.001001001);(160.600006,0.001001001);(160.825001,0.001001001);(161.25,0.001001001);(162.5,0.001001001);(163.349998,0.001001001);(163.600006,0.001001001);(164.919997,0.001001001);(165.265386,0.001001001);(166.899994,0.001001001);(167.399994,0.001001001);(167.699997,0.001001001);(168.0,0.001001001);(168.300003,0.001001001);(169.094595,0.001001001);(170.650002,0.001001001);(171.299998,0.001001001);(173.100006,0.001001001);(173.899994,0.001001001);(174.800003,0.001001001);(175.215386,0.001001001);(176.650002,0.001001001);(177.199997,0.001001001);(177.399994,0.001001001);(177.800003,0.001001001);(178.300003,0.001001001);(179.199997,0.001001001);(179.5,0.001001001);(180.349998,0.001001001);(181.399994,0.001001001);(181.699997,0.001001001);(182.800003,0.001001001);(183.0,0.001001001);(183.275002,0.001001001);(184.100006,0.001001001);(184.300003,0.001001001);(184.979997,0.001001001);(185.449997,0.001001001);(185.699997,0.001001001);(187.198077,0.001001001);(187.699997,0.001001001);(188.300003,0.001001001);(189.100006,0.001001001);(189.399999,0.001001001);(190.699997,0.001001001);(190.899994,0.001001001);(191.100006,0.001001001);(191.399994,0.001001001);(193.075005,0.001001001);(193.300003,0.001001001);(195.100006,0.001001001);(195.399994,0.001001001);(197.093901,0.002002002);(197.899994,0.001001001);(198.5,0.001001001);(199.449997,0.001001001);(200.140002,0.001001001);(200.399994,0.001001001);(200.985713,0.001001001);(202.25,0.001001001);(203.142857,0.001001001);(204.300003,0.001001001);(207.0,0.001001001);(208.399994,0.001001001);(209.199997,0.001001001);(210.0,0.001001001);(210.300003,0.001001001);(210.962502,0.001001001);(211.300003,0.001001001);(211.5,0.001001001);(211.800003,0.001001001);(212.300003,0.001001001);(212.899994,0.001001001);(213.249997,0.001001001);(213.600006,0.001001001);(215.085394,0.018018018);(217.100006,0.001001001);(220.800003,0.001001001);(221.0,0.001001001);(221.25,0.001001001);(221.600006,0.001001001);(223.699997,0.001001001);(223.899994,0.001001001);(224.150002,0.001001001);(224.399994,0.001001001);(225.082357,0.001001001);(225.800003,0.001001001);(226.150002,0.001001001);(226.424995,0.001001001);(227.040002,0.001001001);(227.466665,0.001001001);(227.899994,0.001001001);(228.199997,0.001001001);(228.399994,0.001001001);(228.938458,0.001001001);(229.33125,0.001001001);(230.800003,0.001001001);(231.100006,0.001001001);(234.800003,0.001001001);(235.199997,0.001001001);(237.199997,0.001001001);(238.349998,0.001001001);(238.954997,0.001001001);(239.325001,0.001001001);(240.199997,0.001001001);(241.174999,0.001001001);(241.600006,0.001001001);(243.130864,0.015015015);(244.0,0.001001001);(244.399994,0.001001001);(246.899994,0.001001001);(251.899994,0.001001001);(252.100006,0.001001001);(253.068441,0.006006006);(254.25,0.001001001);(255.849998,0.001001001);(256.100006,0.001001001);(256.700012,0.001001001);(262.600006,0.001001001);(264.5,0.001001001);(266.0,0.001001001);(266.774994,0.001001001);(267.399994,0.001001001);(267.700012,0.001001001);(268.100006,0.001001001);(268.366659,0.001001001);(271.105335,1.0);(273.0,0.001001001);(273.25,0.001001001)
LC-MS/MSLC-APPI-QQ (API2000)PositiveNot AvailableView Spectrum(74.800003,0.001001001);(82.900002,0.001001001);(88.0,0.001001001);(90.599998,0.001001001);(90.800003,0.001001001);(104.300003,0.001001001);(105.900002,0.001001001);(106.5,0.001001001);(116.900002,0.001001001);(125.5,0.001001001);(130.100006,0.001001001);(133.300003,0.001001001);(135.0,0.001001001);(143.100006,0.001001001);(144.800003,0.001001001);(145.199997,0.001001001);(149.0,0.001001001);(149.199997,0.001001001);(149.699997,0.001001001);(152.5,0.001001001);(153.0,0.001001001);(153.399994,0.001001001);(155.399994,0.001001001);(157.100006,0.001001001);(158.899994,0.001001001);(160.600006,0.001001001);(161.300003,0.001001001);(164.799998,0.001001001);(173.399994,0.001001001);(176.899994,0.001001001);(177.300003,0.001001001);(178.899994,0.001001001);(179.300003,0.001001001);(180.0,0.001001001);(182.899994,0.001001001);(183.300003,0.001001001);(185.349998,0.001001001);(186.699997,0.001001001);(187.0,0.001001001);(193.199997,0.001001001);(193.5,0.001001001);(196.399994,0.001001001);(196.800003,0.001001001);(197.050003,0.001001001);(198.899994,0.001001001);(199.300003,0.001001001);(200.100006,0.001001001);(200.949997,0.001001001);(202.800003,0.001001001);(203.600006,0.001001001);(206.800003,0.001001001);(207.199997,0.001001001);(210.800003,0.001001001);(211.199997,0.001001001);(212.0,0.001001001);(212.5,0.001001001);(215.003333,0.002002002);(218.300003,0.001001001);(221.199997,0.001001001);(221.600006,0.001001001);(224.849998,0.001001001);(225.100006,0.001001001);(225.300003,0.001001001);(225.600006,0.001001001);(226.199997,0.001001001);(226.799998,0.001001001);(227.199997,0.001001001);(229.300003,0.001001001);(229.5,0.001001001);(235.100006,0.001001001);(239.154545,0.001001001);(241.300003,0.001001001);(243.094595,0.002002002);(251.699997,0.001001001);(252.300003,0.001001001);(253.260714,0.001001001);(254.300003,0.001001001);(256.200012,0.001001001);(257.5,0.001001001);(268.399994,0.001001001);(268.799998,0.001001001);(271.101798,1.0);(272.449997,0.001001001);(277.600006,0.001001001);(286.5,0.001001001)
LC-MS/MSLC-APPI-QQ (API2000)PositiveNot AvailableView Spectrum(151.127387,0.003003003);(153.114439,0.005005005);(155.105312,0.005005005);(156.098195,0.001001001);(157.142244,0.004004004);(158.124954,0.003003003);(159.142532,0.006006006);(161.163639,0.015015015);(163.121709,0.009009009);(165.125082,0.005005005);(167.133344,0.003003003);(169.111842,0.004004004);(170.116514,0.002002002);(171.130853,0.006006006);(173.119936,0.008008008);(174.11308,0.002002002);(175.109609,0.008008008);(176.159067,0.001001001);(177.147818,0.006006006);(178.16592,0.001001001);(179.151731,0.006006006);(180.195513,0.003003003);(181.13567,0.006006006);(183.117956,0.011011011);(184.168051,0.003003003);(185.131118,0.007007007);(186.105627,0.002002002);(187.101349,0.01001001);(189.09715,0.014014014);(191.131017,0.005005005);(193.159741,0.006006006);(195.162579,0.011011011);(197.135315,0.027027027);(199.144646,0.013013013);(200.162037,0.002002002);(201.14054,0.005005005);(203.112812,0.012012012);(205.104422,0.006006006);(206.099281,0.001001001);(207.134902,0.004004004);(209.145967,0.005005005);(211.149776,0.01001001);(213.142474,0.008008008);(214.184511,0.003003003);(215.130128,0.01001001);(216.145886,0.001001001);(217.129456,0.005005005);(219.106407,0.004004004);(221.143227,0.004004004);(223.139141,0.008008008);(224.163574,0.002002002);(225.161456,0.006006006);(227.153244,0.006006006);(228.200533,0.002002002);(229.143295,0.004004004);(231.140352,0.006006006);(233.130063,0.004004004);(235.118186,0.004004004);(237.14599,0.023023023);(239.152879,0.007007007);(241.190837,0.005005005);(243.180732,0.004004004);(244.192217,0.001001001);(245.147439,0.004004004);(247.126051,0.005005005);(249.12428,0.006006006);(251.115092,0.004004004);(252.117287,0.001001001);(253.13416,0.003003003);(255.164178,0.007007007);(257.119499,0.008008008);(258.158119,0.002002002);(259.155561,0.004004004);(261.120292,0.004004004);(263.121837,0.004004004);(265.121758,0.005005005);(267.133718,0.003003003);(271.111503,1.0);(275.149627,0.004004004);(277.15536,0.004004004);(279.164087,0.007007007);(281.177177,0.004004004);(283.130891,0.006006006);(285.122206,0.032032032);(287.116038,0.009009009);(289.206032,0.004004004);(291.18739,0.003003003);(293.148444,0.003003003);(295.172568,0.002002002);(297.218865,0.002002002);(299.139831,0.009009009);(301.173625,0.003003003);(303.209645,0.002002002);(304.272583,0.001001001);(305.247191,0.002002002);(307.21703,0.002002002);(309.186791,0.002002002);(311.228823,0.002002002);(313.185689,0.011011011);(315.216796,0.004004004);(317.16168,0.003003003);(319.216929,0.002002002);(321.249012,0.001001001);(323.213146,0.002002002);(325.189218,0.002002002);(327.179319,0.002002002);(329.177432,0.002002002);(331.144252,0.002002002);(333.145316,0.001001001);(335.209905,0.002002002);(336.192764,0.001001001);(337.21725,0.001001001);(339.198115,0.002002002);(341.221996,0.001001001);(343.193358,0.001001001);(345.209067,0.001001001);(347.197911,0.001001001);(349.164115,0.002002002);(351.218711,0.001001001);(353.233121,0.002002002);(355.219041,0.001001001);(357.226281,0.001001001);(359.198798,0.001001001);(361.180692,0.016016016);(363.198772,0.002002002);(364.234002,0.001001001);(365.220704,0.002002002);(367.286753,0.001001001);(369.369387,0.001001001);(371.326269,0.001001001);(373.244389,0.001001001);(375.232338,0.004004004);(377.199053,0.03003003);(381.265933,0.001001001);(383.305968,0.001001001);(385.30793,0.001001001);(387.305441,0.001001001);(389.299331,0.001001001);(391.267828,0.006006006);(393.226282,0.004004004);(395.260345,0.001001001);(397.278644,0.001001001);(399.349807,0.003003003)
LC-MS/MSLC-ESI-QTOF (UPLC Q-Tof Premier, Waters)PositiveNot AvailableView Spectrum(271.0595,1.0);(272.0756,0.1731731732);(273.0298,0.035035035);(273.9001,0.011011011);(594.0483,0.018018018);(864.1172,0.012012012)
LC-MS/MSLC-ESI-QTOF (UPLC Q-Tof Premier, Waters)NegativeNot AvailableView Spectrum(63.0702,0.1231231231);(65.0276,0.0820820821);(77.0768,0.024024024);(83.0211,0.037037037);(89.0595,0.0630630631);(91.0549,0.1761761762);(91.9634,0.03003003);(105.0659,0.0850850851);(105.9782,0.022022022);(107.0497,0.2322322322);(107.8089,0.027027027);(114.9693,0.02002002);(117.0889,0.0730730731);(119.0844,0.023023023);(123.0513,0.038038038);(128.986,0.025025025);(130.0214,0.045045045);(131.0755,0.0830830831);(132.0664,0.2902902903);(133.0557,1.0);(133.9624,0.2272272272);(135.058,0.4134134134);(135.9138,0.0660660661);(136.8202,0.028028028);(141.0467,0.042042042);(143.0737,0.0500500501);(145.0572,0.026026026);(151.026,0.0690690691);(152.0056,0.026026026);(154.072,0.041041041);(155.0772,0.1211211211);(156.0519,0.0750750751);(157.0531,0.1631631632);(158.0,0.0790790791);(159.0722,0.3443443443);(159.8858,0.046046046);(161.0839,0.031031031);(167.0948,0.0500500501);(168.0993,0.038038038);(169.1026,0.0800800801);(170.0317,0.024024024);(171.0786,0.0610610611);(171.9733,0.022022022);(173.0701,0.044044044);(178.9771,0.022022022);(180.0948,0.1931931932);(181.0542,0.1341341341);(182.0383,0.0950950951);(183.0535,0.1581581582);(183.9426,0.034034034);(184.9512,0.028028028);(195.0648,0.0710710711);(196.0605,0.1001001001);(197.0564,0.0550550551);(198.057,0.037037037);(199.0384,0.048048048);(201.0718,0.0820820821);(211.0919,0.028028028);(213.0498,0.0520520521);(223.0404,0.0930930931);(224.043,0.1381381381);(225.0337,0.0590590591);(225.978,0.022022022);(227.0727,0.029029029);(239.0484,0.0500500501);(240.0233,0.04004004);(241.0411,0.03003003);(269.0671,0.2592592593);(269.9571,0.037037037)
LC-MS/MSLC-ESI-QTOF (UPLC Q-Tof Premier, Waters)PositiveNot AvailableView Spectrum(65.0278,0.0570570571);(67.0076,0.0530530531);(68.9874,0.1091091091);(69.0253,0.032032032);(89.0325,0.035035035);(91.0485,0.8078078078);(91.0977,0.0940940941);(103.0506,0.037037037);(107.0454,0.0950950951);(109.025,0.035035035);(111.0044,0.034034034);(115.0515,0.1441441441);(117.0674,0.041041041);(119.0468,0.2012012012);(121.0262,0.1391391391);(127.0526,0.0510510511);(128.0607,0.039039039);(129.0684,0.044044044);(131.0479,0.1201201201);(131.0836,0.044044044);(135.043,0.0600600601);(137.0226,0.044044044);(141.0692,0.3863863864);(141.1295,0.037037037);(144.057,0.0510510511);(145.0276,0.1151151151);(145.0644,0.0720720721);(147.0438,0.0600600601);(147.0796,0.03003003);(149.0231,0.2212212212);(150.0302,0.04004004);(151.0545,0.032032032);(152.0613,0.038038038);(153.0181,1.0);(153.0804,0.1141141141);(155.0486,0.0680680681);(159.044,0.1081081081);(159.0803,0.047047047);(165.0182,0.0810810811);(168.0576,0.039039039);(169.0652,0.3353353353);(173.0596,0.0500500501);(175.0758,0.036036036);(183.0444,0.0540540541);(187.0407,0.032032032);(187.0759,0.0620620621);(197.0607,0.3623623624);(200.0485,0.0750750751);(201.0545,0.0500500501);(213.0557,0.0580580581);(215.0711,0.3343343343);(225.0553,0.046046046);(242.058,0.033033033);(243.0659,0.1651651652);(253.0503,0.1411411411);(271.0606,0.1671671672)
LC-MS/MSLC-ESI-QTOF (UPLC Q-Tof Premier, Waters)PositiveNot AvailableView Spectrum(65.0278,0.014014014);(68.9871,0.012012012);(91.0486,0.0830830831);(115.0515,0.026026026);(119.0465,0.016016016);(121.0263,0.011011011);(131.0478,0.011011011);(141.0689,0.028028028);(145.0284,0.019019019);(149.0229,0.032032032);(153.0182,0.1211211211);(153.0797,0.01001001);(159.0441,0.015015015);(165.0188,0.01001001);(169.0654,0.028028028);(197.0604,0.031031031);(215.0712,0.0780780781);(243.0662,0.0500500501);(253.0502,0.028028028);(271.0606,1.0);(271.1437,0.0560560561);(272.0646,0.0610610611)
LC-MS/MSLC-ESI-ITTOF (LCMS-IT-TOF)PositiveNot AvailableView Spectrum(215.0681,0.005005005);(243.0668,0.009009009);(271.051,1.0);(271.2092,0.015015015);(271.3833,0.022022022);(271.5575,0.011011011);(272.0645,0.1481481481);(273.064,0.023023023);(539.0874,0.004004004);(645.0444,0.005005005);(846.6339,0.003003003)
LC-MS/MSLC-ESI-ITTOF (LCMS-IT-TOF)NegativeNot AvailableView Spectrum(210.5493,0.004004004);(224.033,0.004004004);(226.2246,0.004004004);(247.0329,0.004004004);(268.2525,0.004004004);(269.04,1.0);(269.1819,0.017017017);(269.3396,0.028028028);(269.5447,0.016016016);(270.0498,0.1941941942);(270.3499,0.004004004);(270.5237,0.004004004);(270.9032,0.004004004);(271.0455,0.024024024);(306.4466,0.004004004);(311.6837,0.004004004);(352.9715,0.004004004);(355.1232,0.004004004);(356.0474,0.004004004);(366.5683,0.004004004);(368.2998,0.004004004);(383.0319,0.017017017);(456.2516,0.004004004);(512.0496,0.004004004);(537.0717,0.004004004);(539.1001,0.3123123123);(539.5465,0.004004004);(540.1046,0.1021021021);(540.6184,0.004004004);(541.1101,0.027027027);(561.0733,0.004004004);(562.0981,0.004004004);(568.8619,0.004004004);(650.0445,0.004004004);(666.0179,0.004004004);(733.3072,0.004004004);(735.4426,0.004004004);(739.7489,0.004004004);(761.681,0.004004004);(784.8487,0.004004004);(788.8381,0.004004004);(810.5234,0.004004004);(863.0278,0.004004004);(917.3251,0.004004004);(921.521,0.004004004);(931.7007,0.004004004);(953.5623,0.004004004);(1007.815,0.004004004);(1023.3105,0.009009009);(1075.7316,0.004004004);(1076.2044,0.004004004);(1083.3724,0.012012012);(1091.9292,0.01001001);(1097.9708,0.004004004);(1119.8265,0.009009009);(1124.4619,0.004004004);(1131.6916,0.007007007);(1136.8699,0.012012012);(1139.0418,0.004004004);(1139.3337,0.007007007);(1149.3459,0.004004004);(1150.4213,0.004004004);(1166.743,0.007007007);(1167.8593,0.007007007);(1176.3802,0.004004004);(1187.4144,0.007007007);(1189.9987,0.004004004);(1203.9955,0.01001001);(1210.0718,0.004004004);(1210.9076,0.007007007);(1212.9483,0.004004004);(1219.4161,0.004004004);(1283.1468,0.01001001);(1289.4883,0.009009009);(1290.3167,0.007007007);(1295.811,0.007007007);(1309.9977,0.005005005);(1311.1458,0.005005005);(1329.5124,0.004004004);(1370.0771,0.004004004);(1372.5325,0.004004004);(1414.8998,0.01001001);(1436.4889,0.004004004);(1440.024,0.007007007);(1492.0861,0.004004004);(1495.2057,0.009009009);(1538.0924,0.004004004);(1551.9928,0.004004004);(1559.8771,0.004004004);(1637.2136,0.004004004);(1643.8694,0.004004004);(1658.865,0.004004004);(1662.938,0.004004004);(1772.9768,0.004004004);(1797.216,0.004004004);(1812.4031,0.004004004);(1872.9589,0.004004004);(1882.9536,0.004004004)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(211.0418,32.0);(223.0427,76.0);(224.05,64.0);(226.03,52.0);(239.0376,265.0);(240.0438,168.0);(267.0322,234.0);(268.0397,999.0);(269.0439,173.0);(270.0469,32.0);(283.064,27.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(211.0418,32.0);(223.0427,76.0);(224.05,64.0);(226.03,52.0);(239.0376,265.0);(240.0438,168.0);(267.0322,234.0);(268.0397,999.0);(269.0439,173.0);(270.0469,32.0);(283.064,27.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(105.0368,66.0);(107.0147,116.0);(117.0359,299.0);(130.044,121.0);(131.0518,126.0);(132.0235,953.0);(133.0311,999.0);(134.0381,632.0);(135.0459,437.0);(136.0496,83.0);(141.0349,108.0);(143.0518,108.0);(154.0441,87.0);(155.0535,114.0);(156.0378,76.0);(157.0314,188.0);(158.0371,99.0);(159.0472,204.0);(171.0506,67.0);(180.0596,92.0);(182.04,83.0);(195.0493,73.0);(223.0442,116.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(105.0362,22.0);(107.015,101.0);(117.0359,117.0);(119.0519,22.0);(129.0352,34.0);(130.0439,63.0);(131.0524,58.0);(132.0239,393.0);(133.0311,999.0);(134.0376,204.0);(135.045,377.0);(136.0454,34.0);(136.0501,34.0);(141.0359,26.0);(143.0524,34.0);(151.0052,53.0);(154.0455,44.0);(155.0522,80.0);(157.0386,81.0);(158.0401,38.0);(159.0466,262.0);(160.0507,34.0);(161.0301,23.0);(167.0523,52.0);(169.0697,71.0);(171.0479,53.0);(173.0611,36.0);(180.061,103.0);(181.0683,60.0);(182.0441,56.0);(183.0474,104.0);(184.0522,23.0);(195.0487,43.0);(196.0542,52.0);(197.0601,53.0);(199.0429,42.0);(201.0575,55.0);(213.0558,27.0);(223.0434,80.0);(224.0507,125.0);(225.0557,53.0);(226.0494,24.0);(227.0384,32.0);(239.0381,49.0);(240.0472,49.0);(241.0536,30.0);(268.0399,28.0);(269.0489,220.0);(270.0526,38.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(268.0371,3.0);(269.0461,999.0);(270.0488,123.0);(271.0508,18.0);(539.0974,3.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(269.0489,999.0);(270.0524,116.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(105.0368,66.0);(107.0147,116.0);(117.0359,299.0);(130.044,121.0);(131.0518,126.0);(132.0235,953.0);(133.0311,999.0);(134.0381,632.0);(135.0459,437.0);(136.0496,83.0);(141.0349,108.0);(143.0518,108.0);(154.0441,87.0);(155.0535,114.0);(156.0378,76.0);(157.0314,188.0);(158.0371,99.0);(159.0472,204.0);(171.0506,67.0);(180.0596,92.0);(182.04,83.0);(195.0493,73.0);(223.0442,116.0)
LC-MS/MSESI-TOFNegativeNot AvailableView Spectrum(105.0362,22.0);(107.015,101.0);(117.0359,117.0);(119.0519,22.0);(129.0352,34.0);(130.0439,63.0);(131.0524,58.0);(132.0239,393.0);(133.0311,999.0);(134.0376,204.0);(135.045,377.0);(136.0454,34.0);(136.0501,34.0);(141.0359,26.0);(143.0524,34.0);(151.0052,53.0);(154.0455,44.0);(155.0522,80.0);(157.0386,81.0);(158.0401,38.0);(159.0466,262.0);(160.0507,34.0);(161.0301,23.0);(167.0523,52.0);(169.0697,71.0);(171.0479,53.0);(173.0611,36.0);(180.061,103.0);(181.0683,60.0);(182.0441,56.0);(183.0474,104.0);(184.0522,23.0);(195.0487,43.0);(196.0542,52.0);(197.0601,53.0);(199.0429,42.0);(201.0575,55.0);(213.0558,27.0);(223.0434,80.0);(224.0507,125.0);(225.0557,53.0);(226.0494,24.0);(227.0384,32.0);(239.0381,49.0);(240.0472,49.0);(241.0536,30.0);(268.0399,28.0);(269.0489,220.0);(270.0526,38.0)
LC-MS/MSDI-ESI-qTofPositiveNot AvailableView Spectrum(115.052277,661.0);(119.047531,420.0);(121.026817,561.0);(128.059372,326.0);(129.067337,180.0);(131.046982,728.0);(135.043152,375.0);(137.022446,274.0);(141.067337,2589.0);(142.071518,205.0);(144.05658,425.0);(145.047623,1577.0);(147.076187,277.0);(149.021606,1256.0);(150.030075,344.0);(152.060608,325.0);(153.0159,8404.0);(154.021561,420.0);(155.051163,788.0);(157.064606,279.0);(159.064987,697.0);(163.037521,200.0);(165.016937,441.0);(168.057724,386.0);(169.065109,2797.0);(170.067017,262.0);(172.072525,237.0);(173.059326,392.0);(179.05455,243.0);(183.041031,541.0);(185.056671,236.0);(187.074066,651.0);(197.059357,2696.0);(198.062408,374.0);(200.044846,672.0);(201.055817,365.0);(213.053192,438.0);(215.07048,3772.0);(216.072113,368.0);(219.850479,488.0);(225.053101,455.0);(226.060837,239.0);(228.061325,272.0);(242.058609,278.0);(243.064926,2130.0);(244.067337,254.0);(253.048553,1546.0);(270.075531,639.0);(271.059753,2420.0);(765.750916,233.0)
LC-MS/MSDI-ESI-qTofPositiveNot AvailableView Spectrum(293.16687,157.0)
LC-MS/MSDI-ESI-qTofNegativeNot AvailableView Spectrum(117.024139,104.0);(129.024933,128.0);(130.031403,166.0);(131.037506,225.0);(132.009323,1882.0);(133.018219,3643.0);(134.025803,848.0);(135.033203,1436.0);(141.023438,208.0);(143.040756,176.0);(150.993027,216.0);(154.033295,203.0);(155.040283,354.0);(156.047363,151.0);(157.019089,502.0);(158.026016,199.0);(159.034561,1566.0);(167.039917,202.0);(169.055496,267.0);(171.036896,266.0);(173.051163,159.0);(180.049194,687.0);(181.05864,291.0);(182.027039,242.0);(183.03511,611.0);(195.035065,282.0);(196.046753,254.0);(197.052353,183.0);(199.033005,171.0);(201.049286,249.0);(211.031647,122.0);(213.050064,145.0);(223.033737,254.0);(224.041946,489.0);(225.045883,136.0);(239.027924,205.0);(240.032745,147.0);(241.040344,122.0);(269.038544,1096.0)
LC-MS/MSLC-ESI-qTofPositiveNot AvailableView Spectrum(46.216541,144.0);(46.308594,152.0);(46.468376,152.0);(46.956913,236.0);(47.490059,264.0);(47.759544,184.0);(47.923367,168.0);(48.55788,208.0);(48.962574,212.0);(49.609261,208.0);(50.482224,232.0);(51.55555,156.0);(51.815975,208.0);(52.008133,152.0);(52.569431,156.0);(52.655128,144.0);(52.747082,172.0);(53.947838,152.0);(54.240612,228.0);(55.551571,180.0);(55.876923,152.0);(55.936451,176.0);(55.99802,160.0);(56.136097,144.0);(56.517006,148.0);(57.299263,188.0);(57.472652,164.0);(57.51189,168.0);(58.08234,184.0);(59.285313,180.0);(59.334362,200.0);(59.805965,140.0);(60.174404,228.0);(60.417046,184.0);(60.607483,156.0);(60.787357,200.0);(60.987705,224.0);(61.152576,140.0);(61.761093,160.0);(61.923874,176.0);(61.944237,188.0);(62.044533,148.0);(62.300339,140.0);(62.449669,172.0);(62.74099,180.0);(64.040398,144.0);(64.557495,176.0);(64.964325,244.0);(65.034935,172.0);(65.198753,152.0);(65.51252,160.0);(65.651131,276.0);(66.030655,164.0);(66.137444,164.0);(66.532982,148.0);(66.589813,212.0);(66.91993,192.0);(67.076324,252.0);(67.448502,172.0);(68.076004,244.0);(68.828552,232.0);(69.633392,240.0);(70.220909,188.0);(70.336037,172.0);(70.514763,204.0);(70.688683,156.0);(72.1064,232.0);(73.116463,108.0);(73.461411,196.0);(73.551849,216.0);(74.601936,140.0);(74.742966,208.0);(76.038864,132.0);(76.410942,180.0);(76.588509,188.0);(76.666908,156.0);(76.991402,172.0);(78.77774,204.0);(80.938728,192.0);(81.42292,184.0);(82.233109,204.0);(83.016479,208.0);(83.197922,176.0);(83.901978,200.0);(84.843506,176.0);(85.109543,208.0);(85.175659,140.0);(85.641029,208.0);(85.947052,144.0);(86.227753,188.0);(86.606247,232.0);(87.314194,204.0);(87.468628,148.0);(88.235359,160.0);(88.740868,184.0);(88.855278,148.0);(89.577179,204.0);(91.054428,480.0);(91.077225,144.0);(91.518433,160.0);(91.58699,204.0);(91.609848,168.0);(91.930168,216.0);(95.313683,180.0);(96.479218,200.0);(96.694389,248.0);(97.180374,180.0);(97.433647,144.0);(99.747803,188.0);(100.289223,148.0);(101.226212,164.0);(103.062889,228.0);(103.325592,228.0);(103.457138,184.0);(103.48143,176.0);(104.944336,196.0);(105.03611,368.0);(105.610085,140.0);(105.790154,204.0);(106.07695,208.0);(106.441147,140.0);(106.585938,144.0);(106.629089,160.0);(107.048454,368.0);(107.337265,256.0);(107.564217,184.0);(107.791397,184.0);(108.457809,172.0);(108.754425,224.0);(109.027802,204.0);(109.199059,140.0);(109.375923,176.0);(110.030502,168.0);(110.720543,196.0);(111.006584,244.0);(111.125114,180.0);(111.570358,176.0);(112.681038,192.0);(113.076469,152.0);(114.328629,180.0);(114.452095,160.0);(114.957298,140.0);(115.051018,176.0);(116.718132,196.0);(116.972008,276.0);(117.071045,192.0);(117.627319,152.0);(119.050873,728.0);(119.075874,176.0);(119.843788,224.0);(120.048691,160.0);(120.258133,152.0);(120.288689,168.0);(120.966347,252.0);(121.033241,192.0);(121.117439,156.0);(121.512039,352.0);(121.990799,192.0);(122.034767,196.0);(122.149124,180.0);(122.657791,164.0);(122.734955,152.0);(123.72036,140.0);(123.795639,160.0);(124.09478,168.0);(124.685249,252.0);(125.176895,176.0);(126.276833,148.0);(127.056671,204.0);(127.112762,148.0);(127.636147,212.0);(128.063049,208.0);(129.070557,352.0);(130.094345,152.0);(131.049133,360.0);(131.085938,136.0);(131.199982,164.0);(131.275223,152.0);(131.82309,168.0);(132.50267,156.0);(132.936035,192.0);(133.023254,384.0);(133.062271,220.0);(133.60466,192.0);(133.648376,312.0);(135.039444,332.0);(135.245377,160.0);(135.717972,168.0);(136.872818,164.0);(137.025101,332.0);(137.385574,164.0);(137.646988,172.0);(138.666977,244.0);(139.227707,156.0);(139.363953,152.0);(139.902527,172.0);(140.053238,176.0);(141.071121,1200.0);(141.285477,164.0);(141.455872,232.0);(141.922592,184.0);(142.073624,224.0);(142.651443,140.0);(144.055176,220.0);(144.179291,144.0);(144.396866,156.0);(144.423172,152.0);(145.028809,1112.0);(145.057724,192.0);(146.024994,176.0);(146.27803,176.0);(146.329224,196.0);(146.989014,184.0);(147.010742,160.0);(147.044769,212.0);(147.082336,460.0);(148.193176,188.0);(148.56897,180.0);(148.675735,200.0);(149.023819,2184.0);(150.029037,300.0);(150.157364,184.0);(150.352539,232.0);(150.897263,204.0);(151.030655,200.0);(151.112503,144.0);(152.06015,296.0);(152.210587,160.0);(152.746368,152.0);(153.01799,6152.0);(153.058136,184.0);(154.02063,416.0);(154.045471,176.0);(154.902435,168.0);(154.951614,100.0);(155.048584,468.0);(155.407135,212.0);(156.062851,160.0);(156.222031,144.0);(156.734909,176.0);(157.070465,128.0);(157.388443,212.0);(157.480835,148.0);(157.498322,232.0);(157.738205,156.0);(158.203491,236.0);(158.947357,172.0);(159.0056,164.0);(159.043839,472.0);(159.080032,180.0);(160.056519,224.0);(160.081589,140.0);(160.837952,180.0);(161.059143,216.0);(162.789978,144.0);(163.038513,224.0);(163.539978,252.0);(164.449905,220.0);(164.587769,340.0);(165.019531,1216.0);(166.025314,192.0);(167.025482,140.0);(167.091919,144.0);(168.068436,168.0);(168.145844,172.0);(168.734802,156.0);(169.065109,1068.0);(169.55278,144.0);(170.06987,388.0);(171.081985,23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LC-MS/MSLC-ESI-qTofPositiveNot AvailableView Spectrum(95.008415,180.0);(95.105545,252.0);(95.776199,232.0);(95.838539,140.0);(96.94059,124.0);(97.026733,156.0);(97.043343,152.0);(97.207275,156.0);(97.928764,232.0);(97.981949,148.0);(98.175117,224.0);(98.218506,228.0);(98.354652,176.0);(98.609436,236.0);(98.686531,192.0);(98.801239,164.0);(98.896225,216.0);(99.129913,208.0);(99.304367,92.0);(99.721306,148.0);(99.932091,56.0);(100.180939,144.0);(100.615685,140.0);(100.683571,152.0);(100.781448,80.0);(101.083382,172.0);(101.564194,56.0);(101.614342,32.0);(101.995888,128.0);(102.048157,128.0);(102.724815,204.0);(102.815613,140.0);(102.908463,164.0);(103.057564,156.0);(103.098343,64.0);(103.367661,108.0);(103.458366,60.0);(103.571762,164.0);(104.939407,132.0);(105.034691,304.0);(105.071976,196.0);(105.241371,108.0);(106.035065,148.0);(106.13961,212.0);(107.049736,616.0);(107.365196,160.0);(108.053024,192.0);(109.036102,236.0);(109.096169,92.0);(109.868767,60.0);(110.031548,160.0);(110.240417,212.0);(110.2864,160.0);(110.610603,52.0);(110.767647,176.0);(111.007965,492.0);(112.673553,184.0);(113.524429,168.0);(113.978691,204.0);(114.404045,72.0);(114.836601,176.0);(115.022232,172.0);(115.052856,1064.0);(115.131119,52.0);(115.46022,100.0);(115.764099,160.0);(116.058517,204.0);(116.11985,140.0);(116.265732,180.0);(116.716835,152.0);(117.035278,172.0);(117.067085,480.0);(117.654045,152.0);(118.039696,460.0);(118.480156,156.0);(118.974602,184.0);(119.048676,904.0);(119.491837,200.0);(120.060341,176.0);(120.11705,144.0);(120.424805,164.0);(120.967072,184.0);(121.029503,876.0);(121.102821,140.0);(121.131302,132.0);(121.146629,124.0);(121.409653,172.0);(121.844254,76.0);(122.0392,188.0);(122.850311,136.0);(123.004776,196.0);(123.0383,192.0);(123.104126,88.0);(124.015602,132.0);(124.841476,228.0);(125.01722,104.0);(125.27549,88.0);(125.772743,180.0);(126.980942,252.0);(127.052483,156.0);(127.6614,96.0);(127.769363,204.0);(127.929138,124.0);(128.061752,316.0);(129.048126,188.0);(129.069107,200.0);(129.174774,132.0);(129.795303,176.0);(130.353699,188.0);(130.687958,132.0);(131.050415,640.0);(131.087082,308.0);(131.157074,144.0);(131.522018,196.0);(132.057434,348.0);(132.670334,188.0);(132.834045,172.0);(133.024521,168.0);(133.041962,156.0);(133.070969,236.0);(133.457794,72.0);(133.581985,108.0);(134.067795,112.0);(134.143845,44.0);(134.473679,52.0);(134.639908,124.0);(135.04454,600.0);(135.787811,120.0);(135.850433,184.0);(136.044373,152.0);(137.02121,384.0);(138.554672,132.0);(138.589813,136.0);(139.055008,268.0);(139.425186,148.0);(140.060425,184.0);(140.432831,224.0);(140.706558,216.0);(140.753769,104.0);(140.810455,216.0);(140.852966,120.0);(140.949829,208.0);(141.008896,204.0);(141.034897,112.0);(141.070389,2420.0);(141.095901,164.0);(141.581421,160.0);(141.605103,144.0);(142.073059,388.0);(142.226303,148.0);(142.972565,116.0);(143.048737,160.0);(143.07254,164.0);(143.120163,64.0);(143.186829,76.0);(143.203506,164.0);(143.308319,136.0);(143.334534,52.0);(144.057938,448.0);(144.569077,148.0);(144.715088,216.0);(145.029724,1056.0);(145.06427,284.0);(146.030365,512.0);(146.069855,312.0);(146.24057,228.0);(146.48262,160.0);(147.045654,424.0);(147.080383,264.0);(147.232712,244.0);(147.288269,192.0);(148.677979,204.0);(148.755646,172.0);(149.022156,2112.0);(149.222092,144.0);(149.37529,132.0);(149.52858,152.0);(150.032455,212.0);(150.3694,176.0);(151.051727,280.0);(151.200333,112.0);(152.01506,196.0);(152.063644,140.0);(152.419083,72.0);(152.871536,84.0);(153.017838,8788.0);(153.067642,372.0);(153.109146,92.0);(153.119354,48.0);(153.126007,76.0);(153.239059,76.0);(153.314804,104.0);(153.424286,124.0);(153.583527,56.0);(153.620529,56.0);(153.647659,64.0);(153.729095,128.0);(153.891998,224.0);(153.978424,124.0);(154.020905,688.0);(154.052521,120.0);(154.094528,56.0);(154.186218,36.0);(154.467804,88.0);(154.584091,96.0);(155.024216,228.0);(155.047226,424.0);(155.084351,100.0);(155.140045,136.0);(155.173584,132.0);(155.265335,56.0);(155.429062,204.0);(155.682251,212.0);(156.196716,52.0);(157.023499,156.0);(157.230698,48.0);(157.99028,192.0);(158.470963,72.0);(158.977478,192.0);(159.044693,1292.0);(159.079941,160.0);(159.158203,76.0);(160.045776,340.0);(160.849991,92.0);(161.069656,168.0);(163.0327,200.0);(163.049179,180.0);(164.084427,124.0);(164.824585,60.0);(164.891037,176.0);(165.015671,420.0);(165.154373,40.0);(166.02002,168.0);(166.474228,96.0);(166.707993,128.0);(167.011368,88.0);(167.861221,152.0);(168.056717,684.0);(168.077896,236.0);(168.168228,36.0);(168.20694,88.0);(168.232758,84.0);(168.674469,72.0);(169.065277,2352.0);(169.129715,164.0);(169.298004,132.0);(169.564835,136.0);(169.586517,120.0);(169.665924,164.0);(169.772232,44.0);(169.946396,140.0);(170.065353,196.0);(170.174423,200.0);(170.221161,132.0);(170.553696,100.0);(171.056931,248.0);(171.077423,176.0);(171.172867,44.0);(172.052734,168.0);(172.349258,132.0);(173.051987,360.0);(173.634552,204.0);(174.067551,148.0);(174.109558,156.0);(175.073135,208.0);(175.151077,40.0);(175.430389,44.0);(176.079468,168.0);(176.422974,72.0);(177.031509,188.0);(177.052704,124.0);(177.898499,116.0);(178.029907,332.0);(178.342087,180.0);(179.041809,156.0);(179.063171,156.0);(179.857635,148.0);(180.051132,160.0);(180.322372,136.0);(180.969727,132.0);(181.063293,168.0);(181.350113,120.0);(181.647751,80.0);(182.044952,136.0);(182.077179,212.0);(183.018356,132.0);(183.041595,812.0);(183.101822,40.0);(183.169159,64.0);(183.673218,188.0);(183.959244,212.0);(184.047729,384.0);(184.226578,192.0);(184.291428,100.0);(185.059921,512.0);(186.024673,168.0);(186.067047,200.0);(186.502731,108.0);(187.040939,120.0);(187.075653,900.0);(187.212814,40.0);(188.033401,92.0);(188.086151,196.0);(188.183533,148.0);(189.018372,184.0);(191.035278,628.0);(192.397781,180.0);(192.812103,196.0);(193.28775,108.0);(196.047943,160.0);(196.665283,116.0);(196.708954,64.0);(197.05835,2188.0);(197.153046,44.0);(197.953094,184.0);(198.072083,400.0);(198.112732,88.0);(198.906311,76.0);(199.057526,156.0);(199.150589,48.0);(199.192719,60.0);(199.574921,96.0);(200.047089,660.0);(200.168625,156.0);(200.66452,76.0);(201.055389,684.0);(201.771225,20.0);(201.909775,188.0);(201.957855,56.0);(202.051208,164.0);(202.254944,148.0);(202.759079,148.0);(202.963181,160.0);(203.028915,244.0);(203.069229,276.0);(203.35466,132.0);(204.033554,104.0);(205.040146,232.0);(205.047653,148.0);(207.049561,204.0);(208.050079,140.0);(210.045761,172.0);(210.621719,40.0);(211.025467,196.0);(212.039429,164.0);(213.055695,468.0);(213.822617,172.0);(214.05809,144.0);(214.661606,44.0);(214.711182,160.0);(214.938721,100.0);(215.034958,272.0);(215.070099,3472.0);(215.148849,60.0);(215.429871,52.0);(215.981659,140.0);(216.037735,292.0);(216.073715,828.0);(216.209869,100.0);(216.441116,40.0);(217.074051,124.0);(218.410309,96.0);(218.781082,32.0);(218.848801,128.0);(219.063782,116.0);(220.072388,188.0);(221.163223,144.0);(221.574829,144.0);(221.782257,84.0);(223.284561,148.0);(224.046555,116.0);(225.057831,408.0);(225.67308,124.0);(226.05661,144.0);(227.04451,232.0);(227.072998,152.0);(227.683731,120.0);(228.037109,440.0);(228.077316,136.0);(228.19455,72.0);(228.66983,220.0);(229.056061,144.0);(229.40477,172.0);(230.050842,116.0);(232.456467,124.0);(235.049011,168.0);(235.98671,96.0);(236.0448,172.0);(237.545502,36.0);(238.943253,128.0);(239.035568,172.0);(240.598206,160.0);(241.052795,304.0);(242.054031,292.0);(242.671036,72.0);(242.944092,160.0);(243.064468,3612.0);(243.111496,116.0);(243.515076,72.0);(243.760498,36.0);(243.996719,40.0);(244.07019,568.0);(244.441483,44.0);(244.488159,76.0);(245.064224,244.0);(245.375885,88.0);(245.497482,56.0);(252.560898,64.0);(252.820328,112.0);(253.050568,1620.0);(253.102051,220.0);(253.155884,56.0);(253.589905,104.0);(253.786453,112.0);(253.824493,128.0);(254.052856,692.0);(255.05484,168.0);(256.045776,52.0);(256.568329,200.0);(257.059509,52.0);(257.107361,140.0);(261.025146,100.0);(262.193695,72.0);(266.698883,132.0);(269.39856,112.0);(269.815216,240.0);(270.047394,144.0);(270.931183,144.0);(270.983582,88.0);(271.011444,184.0);(271.059418,11076.0);(271.157257,68.0);(271.183472,56.0);(271.252319,168.0);(271.31131,60.0);(271.553955,76.0);(271.588745,48.0);(271.65564,60.0);(271.701569,56.0);(271.862335,80.0);(271.993622,48.0);(272.062073,1568.0);(272.1315,148.0);(272.170898,56.0);(272.473053,80.0);(272.676788,48.0);(273.069336,544.0);(273.104218,92.0);(273.311462,44.0);(273.704742,132.0);(273.738708,100.0);(273.992981,48.0);(274.57312,80.0);(274.846893,72.0);(275.583191,56.0);(276.254303,80.0);(279.191589,48.0);(282.227417,92.0);(284.029114,196.0);(285.026215,152.0);(288.707245,44.0);(288.916962,124.0);(290.393799,68.0);(328.979034,104.0);(346.501373,148.0);(413.663239,40.0);(445.520325,100.0);(467.095032,52.0);(472.894043,72.0);(540.662903,76.0);(556.230225,20.0);(583.836304,212.0);(597.972778,44.0);(602.49292,76.0);(655.802002,84.0);(699.150635,120.0);(705.316101,96.0);(782.124878,192.0);(793.659729,84.0);(898.224365,164.0);(929.782715,60.0);(934.33374,232.0);(965.7229,96.0);(992.833618,140.0);(1000.977722,184.0);(1023.596375,200.0);(1024.373413,132.0);(1043.668945,228.0);(1045.656616,108.0);(1047.64624,192.0);(1058.062866,160.0);(1097.276001,164.0);(1104.467285,160.0);(1118.867065,244.0);(1124.940063,172.0);(1133.929688,184.0);(1144.893677,176.0);(1167.190796,128.0);(1178.42334,140.0);(1182.786255,260.0);(1191.00061,152.0);(1193.570923,192.0);(1244.208984,84.0);(1255.494995,168.0);(1285.645264,156.0);(1292.140381,128.0);(1293.041992,156.0);(1320.286621,132.0);(1327.861938,196.0);(1331.083984,148.0);(1334.862427,88.0);(1336.27356,84.0);(1374.734985,160.0);(1378.368042,156.0);(1384.826294,80.0);(1390.861694,256.0);(1394.872803,216.0);(1399.529907,180.0);(1403.016602,192.0);(1407.149658,184.0);(1407.642456,132.0);(1409.659302,60.0);(1411.199097,196.0);(1412.088867,144.0);(1416.362671,116.0);(1420.927856,132.0);(1425.988892,144.0);(1432.911743,192.0);(1440.931519,116.0);(1457.866211,144.0);(1473.547363,132.0);(1500.138794,80.0);(1502.699219,180.0)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(269.0455,100.0)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(225.0558,0.141936);(269.0455,100.0)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(63.024,0.94648);(65.0033,0.672819);(83.0139,0.201027);(89.0033,0.203826);(91.0189,0.562101);(107.0139,1.624705);(117.0345,0.118246);(132.0215,0.227099);(133.0295,3.605623);(135.0088,0.766268);(135.0451,0.596188);(151.0037,0.451234);(155.0503,0.348517);(157.0294,0.613688);(157.0658,0.315592);(159.0451,1.902793);(161.0245,0.365439);(169.0659,0.993915);(171.0452,0.270126);(173.0609,0.233437);(176.0112,0.170899);(180.0581,1.003033);(181.0659,3.142177);(182.0374,0.195109);(183.0451,1.75609);(195.0449,0.204558);(196.0529,0.811824);(197.0608,1.544863);(199.04,0.871128);(201.0557,2.866148);(208.0534,0.105253);(213.0557,0.948705);(223.0398,0.256437);(224.0479,2.228352);(225.0558,2.809101);(227.0351,0.941813);(240.0426,0.410394);(241.0506,1.092695);(268.0373,0.268826);(269.0455,100.0)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(63.0241,22.132216);(65.0033,12.76136);(67.019,0.627229);(68.9982,0.578783);(75.0241,0.385521);(83.0139,2.302047);(89.0033,3.082222);(89.0396,0.514026);(91.0189,10.034764);(93.0346,0.320078);(95.0502,0.290275);(105.0346,0.367451);(107.0139,17.843308);(109.0294,0.65785);(117.0346,2.148519);(119.0504,0.441754);(123.0452,3.143624);(127.0553,0.120201);(129.0347,0.441777);(130.0423,0.614937);(131.0502,2.070083);(132.0217,4.27537);(133.0296,53.642848);(134.0373,0.554179);(135.0088,5.878401);(135.0452,11.899831);(141.0347,0.879845);(141.0708,0.189349);(143.0502,1.430408);(145.0295,0.46478);(145.0659,0.529603);(148.0168,0.432295);(151.0037,3.912633);(152.0631,0.762712);(153.0192,0.360018);(153.0711,0.262775);(154.0426,0.668712);(155.0503,5.768377);(156.058,1.948517);(157.0295,8.373844);(157.0659,2.738832);(158.0373,0.911046);(159.0452,21.876004);(161.0244,1.925062);(167.0503,1.671916);(168.0582,1.448379);(169.0659,7.649375);(171.0452,3.188037);(172.0529,0.255645);(173.0607,2.856667);(176.0115,1.158981);(179.0501,0.500252);(180.0582,12.432833);(181.066,16.128133);(182.0373,3.18491);(183.0451,15.581672);(185.0609,1.062336);(195.0451,2.340631);(196.053,7.478202);(197.0608,7.22122);(198.0323,0.640856);(199.0401,5.718743);(200.0481,0.262071);(201.0558,13.122357);(207.0454,0.279987);(208.0532,0.571669);(210.0323,0.472848);(211.0402,0.706003);(212.0478,0.476831);(213.0558,5.609704);(223.0401,3.275896);(224.048,15.239083);(225.0558,8.561866);(226.0272,0.315645);(227.0351,3.714331);(239.0352,1.306544);(240.0429,3.563686);(241.0507,3.739763);(267.0298,0.325843);(268.0377,1.810064);(269.0457,100.0)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(61.0084,0.357922);(62.0162,0.106824);(63.0241,66.275865);(63.9954,0.876315);(65.0033,43.738869);(67.019,1.223223);(68.9983,1.610492);(75.0241,0.908566);(77.0397,1.073946);(79.0189,0.388544);(83.0139,4.982647);(89.0033,5.33749);(89.0397,4.457089);(91.019,26.223707);(92.9982,0.130311);(93.0345,1.155595);(95.0139,0.409909);(95.0503,2.202355);(103.0554,0.163174);(104.0268,0.508039);(105.0346,1.25078);(106.0061,0.121576);(107.0139,29.284201);(108.0216,0.201065);(109.0296,0.720906);(115.0557,0.184086);(117.0346,7.333062);(119.0503,1.304416);(120.0217,0.182168);(121.0297,0.334138);(123.0452,12.771553);(127.0553,0.380927);(129.0346,1.944511);(130.0424,3.685468);(131.0502,5.976143);(132.0217,27.456116);(133.0296,100.0);(134.0374,8.776823);(135.0088,4.681758);(135.0452,33.492737);(141.0346,2.778969);(141.071,0.835531);(142.0423,0.161887);(143.0502,4.251176);(145.0294,1.067693);(145.0661,0.798709);(147.0447,0.116715);(148.0166,0.565876);(149.0243,0.155482);(151.0037,4.035168);(152.0632,0.838235);(153.0192,0.197313);(153.0709,0.387408);(154.0425,3.587861);(155.0503,10.206795);(156.0218,0.815343);(156.0581,3.485594);(157.0295,13.649948);(157.0658,2.059415);(158.0374,3.053585);(159.0452,32.249379);(161.0243,0.806522);(167.0502,3.774451);(168.0581,1.905316);(169.0659,6.677758);(170.0373,0.346081);(171.0453,5.72572);(172.0529,0.776458);(173.0608,3.749814);(176.0117,0.920188);(179.05,0.762434);(180.0582,17.709353);(181.0294,0.414804);(181.066,6.823838);(182.0372,7.448267);(183.0451,13.210905);(184.0532,0.792153);(185.0607,1.512627);(195.0451,5.859933);(196.053,6.776953);(197.0246,0.176516);(197.0609,2.787135);(198.0323,1.661058);(199.0401,3.765493);(200.0479,0.592277);(201.0558,5.268897);(207.0452,0.161761);(208.0531,0.525023);(210.0324,0.217331);(211.0402,2.077667);(212.0479,0.889639);(213.0559,3.188555);(223.0401,6.469254);(224.0479,8.577682);(225.0558,1.985363);(226.0275,0.213278);(227.0354,1.204364);(239.035,3.396673);(240.0429,2.431496);(241.0507,1.902577);(242.0213,0.11216);(267.0301,0.656946);(268.0375,0.784594);(269.0455,13.261128)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(61.0085,0.86012);(62.0162,0.346262);(63.0241,100.0);(63.9955,2.335848);(65.0033,91.868677);(67.019,1.78045);(68.9983,2.108792);(75.0242,1.368158);(77.0034,0.324837);(77.0398,3.407269);(79.0191,0.614957);(83.0139,7.496946);(89.0033,6.454376);(89.0397,10.314082);(91.019,29.892831);(92.0267,0.262418);(92.9982,0.192164);(93.0346,1.775423);(95.0503,7.853666);(101.0398,0.241552);(102.0476,0.26685);(103.019,0.138717);(103.0553,0.830881);(104.0269,1.524148);(105.0345,2.382328);(106.0425,0.605297);(107.0139,25.541345);(107.0503,2.670633);(108.0216,0.32677);(109.0295,0.75686);(115.0554,0.904629);(116.0268,0.853821);(117.0347,13.804856);(119.0502,1.883029);(120.0215,0.191792);(121.0296,0.931408);(123.0452,16.929147);(127.0552,0.319936);(128.0269,0.661484);(129.0347,4.098425);(130.0424,8.709167);(131.0503,7.040004);(132.0217,84.37638);(133.0296,94.018757);(134.0374,36.089466);(135.0089,1.81246);(135.0452,35.621724);(139.0553,0.202185);(140.0268,0.181545);(141.0347,5.400931);(141.0709,0.328365);(142.0428,0.141988);(143.0502,5.646884);(145.0296,2.154393);(145.0659,0.286057);(147.0087,0.228374);(147.0453,0.51464);(148.0167,0.528401);(151.0037,2.829908);(152.0632,0.258272);(153.0346,0.619458);(153.0711,0.145624);(154.0425,6.602265);(155.0504,7.380902);(156.0219,3.419961);(156.0581,2.655163);(157.0295,12.091798);(157.066,0.746947);(158.0373,5.816218);(159.0452,18.421806);(161.0248,0.164151);(167.0502,5.544895);(168.0581,1.198668);(169.0293,0.582578);(169.0658,2.680591);(170.0375,0.29921);(171.0452,3.334261);(172.053,1.124932);(173.0606,1.988479);(176.0115,0.263599);(179.0506,0.284584);(180.0581,9.7764);(181.0292,0.319635);(181.0657,1.200234);(182.0373,6.102852);(183.0451,5.04248);(184.0529,0.662205);(185.0608,0.720804);(195.0452,9.608523);(196.053,2.371905);(197.0244,0.265852);(197.0611,0.262871);(198.0321,1.164367);(199.0399,1.213521);(200.048,0.62524);(201.0555,0.787057);(210.0324,0.557047);(211.0402,4.125179);(212.0482,0.642427);(213.0557,0.886257);(223.0402,6.835281);(224.0479,2.238512);(239.0349,3.162509);(240.0427,0.266087);(241.0508,0.174157);(267.0301,0.662675);(269.0455,0.715577)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(61.0084,1.712485);(62.0162,0.739166);(63.0241,55.972986);(63.9955,7.918774);(65.0033,100.0);(67.0189,1.05745);(68.9983,0.851537);(75.0241,0.197323);(77.0033,0.284403);(77.0397,3.218958);(79.0191,0.146752);(83.0139,2.893662);(89.0033,3.240622);(89.0397,4.741101);(91.0189,9.945774);(92.0268,0.929919);(92.9981,0.125931);(93.0345,1.436035);(95.0503,6.991524);(101.0397,0.71544);(102.0476,0.525824);(103.019,0.29297);(103.0554,0.136921);(104.0268,3.727727);(105.0347,0.816375);(106.0425,0.604923);(107.0139,3.902726);(107.0504,1.105272);(108.0218,0.542354);(115.0552,0.974979);(116.0268,2.794402);(117.0347,10.83781);(119.0503,0.673787);(120.0218,1.238984);(121.0296,0.294369);(122.0004,0.132539);(123.0453,3.816191);(125.0401,0.132977);(127.0555,0.12474);(128.0268,2.769624);(129.0346,2.592811);(130.0424,4.460958);(131.0504,0.518854);(132.0217,70.393731);(133.0296,14.313676);(134.0374,28.649705);(135.0452,3.855959);(139.0555,0.502732);(140.0266,0.927932);(141.0347,4.319347);(142.0426,0.185182);(143.0501,1.067297);(145.0294,0.477852);(153.0348,0.259839);(154.0425,2.222651);(155.0506,0.802154);(156.0217,1.699186);(157.0296,1.619385);(158.0373,1.61285);(159.0451,0.698033);(167.0503,4.157356);(169.0296,0.296706);(171.0446,0.130023);(180.0584,0.510384);(182.0373,1.075065);(183.0454,0.853727);(195.0453,2.447835);(210.0327,0.291102);(211.0403,0.96775);(223.0403,0.620416)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(51.0241,0.298834);(61.0084,1.911219);(62.0162,1.292895);(63.0241,31.532862);(63.9955,11.113298);(65.0033,100.0);(67.019,0.916925);(68.9983,1.031857);(73.0084,0.220635);(75.0241,0.219518);(77.0033,0.375104);(77.0397,1.296556);(79.9904,0.16567);(83.0138,1.349659);(88.0318,1.160776);(89.0033,1.442263);(89.0397,1.944047);(91.019,3.844212);(92.0267,0.857574);(93.0344,1.021908);(95.0136,0.229103);(95.0502,3.357384);(101.0394,0.721064);(103.0187,0.291234);(104.0268,2.521592);(107.0135,0.761429);(108.0215,0.274168);(112.0318,0.548947);(115.055,0.828943);(116.0268,5.120816);(117.0346,5.077718);(119.05,0.311166);(120.0213,0.915148);(123.0452,1.436497);(125.0394,0.144723);(128.0268,2.854923);(129.0348,1.247554);(130.042,0.568696);(132.0217,23.603057);(133.0296,2.518844);(134.0374,7.043861);(135.045,0.2118);(140.0266,1.429189);(141.0346,1.6052);(143.05,0.213394);(145.0291,0.154805);(154.0422,0.531714);(155.0495,0.284022);(156.0211,0.297081);(167.0503,1.149737);(169.0287,0.174459);(195.0445,0.270667)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(51.024,0.338455);(61.0084,2.619445);(62.0162,2.000265);(63.0241,18.235847);(63.9955,12.567663);(65.0033,100.0);(67.0191,0.378046);(68.9983,0.528516);(73.0084,1.692242);(77.0034,0.505668);(77.0397,0.998241);(79.9905,0.412459);(83.0139,0.268553);(88.0318,3.380478);(89.0034,0.519464);(89.0398,0.918398);(91.019,1.449962);(92.0269,0.461689);(93.0347,0.993443);(95.0503,1.942828);(103.0191,0.427605);(104.0269,1.066046);(112.0319,1.803994);(116.0268,5.175974);(117.0346,2.350212);(123.0454,1.067428);(128.0269,1.143257);(130.0427,0.394008);(132.0217,7.2128);(134.0377,0.973263);(140.0268,0.940645);(141.0346,0.333022)
LC-MS/MSLC-ESI-QTOFnegativeNot AvailableView Spectrum(63.0702,12.316237);(65.0276,8.265273);(77.0768,2.45018);(83.0211,3.724273);(89.0595,6.337798);(91.0549,17.641294);(91.9634,3.070892);(105.0659,8.559294);(105.9782,2.254165);(107.0497,23.227703);(107.8089,2.711532);(114.9693,2.025482);(117.0889,7.31787);(119.0844,2.319503);(123.0513,3.887618);(128.986,2.515518);(130.0214,4.541);(131.0755,8.36328);(132.0664,29.108135);(133.0557,100.0);(133.9624,22.737667);(135.058,41.424371);(135.9138,6.697158);(136.8202,2.809539);(141.0467,4.279647);(143.0737,5.031036);(145.0572,2.646194);(151.026,6.991179);(152.0056,2.613525);(154.072,4.148971);(155.0772,12.152891);(156.0519,7.513884);(157.0531,16.3672);(158.0,7.971251);(159.0722,34.49853);(159.8858,4.639007);(161.0839,3.103561);(167.0948,5.096374);(168.0993,3.887618);(169.1026,8.101927);(170.0317,2.482849);(171.0786,6.141784);(171.9733,2.254165);(173.0701,4.442992);(178.9771,2.286834);(180.0948,19.405423);(181.0542,13.426985);(182.0383,9.604704);(183.0535,15.909833);(183.9426,3.430252);(184.9512,2.874877);(195.0648,7.121856);(196.0605,10.029402);(197.0564,5.521072);(198.057,3.724273);(199.0384,4.86769);(201.0718,8.232604);(211.0919,2.809539);(213.0498,5.22705);(223.0404,9.343352);(224.043,13.819013);(225.0337,5.978438);(225.978,2.254165);(227.0727,2.907547);(239.0484,5.063705);(240.0233,4.018295);(241.0411,3.070892);(269.0671,26.004574);(269.9571,3.789611)
LC-MS/MSLC-ESI-ITFTnegativeNot AvailableView Spectrum(269.0454,100.0)
LC-MS/MSLC-ESI-ITFTnegativeNot AvailableView Spectrum(269.0455,100.0)
LC-MS/MSLC-ESI-ITFTnegativeNot AvailableView Spectrum(91.0191,1.418722);(107.014,3.714441);(132.0215,1.490792);(133.0295,26.244641);(135.0089,4.67791);(135.0453,1.344788);(151.0036,2.834309);(152.0631,2.004873);(155.0504,4.445623);(156.058,1.343166);(157.0295,9.153825);(157.066,7.853895);(159.0452,15.874792);(161.0248,1.879109);(169.0659,29.411979);(171.045,2.25459);(173.0609,3.776863);(176.0117,3.78243);(179.0504,3.733681);(180.0581,32.090962);(181.0659,90.530873);(182.0374,5.718854);(183.0452,33.577997);(195.0454,5.632138);(196.053,30.437466);(197.0608,44.412071);(199.0401,20.001248);(201.0557,70.884163);(210.0324,2.921431);(213.0557,24.255118);(223.0396,3.602377);(224.0479,50.816736);(225.0557,77.688576);(227.0349,22.212845);(240.0428,9.66742);(241.0505,34.495447);(269.0454,100.0)
LC-MS/MSLC-ESI-ITFTnegativeNot AvailableView Spectrum(91.0191,1.504874);(107.0137,4.005597);(132.022,2.519003);(133.0295,24.342509);(135.0088,6.29621);(135.0447,2.131236);(151.0035,3.060764);(152.0633,1.703741);(155.0502,4.355811);(156.0583,2.234401);(157.0295,10.453437);(157.0658,9.795332);(159.0453,17.245776);(161.0241,1.797554);(169.0659,28.026989);(171.0452,2.94423);(173.0613,2.659817);(176.0118,3.008236);(179.0507,4.400875);(180.0581,32.893384);(181.0659,100.0);(182.0372,5.689687);(183.0451,27.919195);(195.0448,4.936306);(196.053,32.313268);(197.0607,45.510745);(199.0401,21.127423);(201.0557,76.692735);(210.0328,3.646502);(213.0557,24.787765);(223.0402,4.127468);(224.0478,58.658953);(225.0557,88.805841);(227.0348,25.816065);(240.0428,13.432811);(241.0505,35.695337)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(133.14375,2.42501);(135.116791,0.83113);(151.148809,0.508538);(157.180897,2.52645);(159.176098,1.859964);(169.196087,4.668315);(176.135413,0.61922);(179.203088,0.659668);(180.193041,4.893719);(181.200353,15.614684);(182.178521,1.002696);(183.175862,4.271696);(195.194293,0.829007);(196.187929,5.127393);(197.186247,8.750076);(199.164253,3.79715);(201.188824,13.538348);(210.177947,0.543259);(213.179537,4.600805);(223.193099,0.611966);(224.179259,9.440162);(225.153885,18.528768);(227.156081,4.955089);(240.160669,2.160691);(241.172219,8.561923);(269.269203,100.0);(270.100336,93.599668)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(107.100751,0.758322);(133.125167,3.649389);(135.112787,1.130504);(151.130899,0.710209);(155.151276,0.668545);(157.154803,3.74608);(159.159727,2.796995);(169.181115,6.935498);(171.141066,0.541464);(173.197183,0.747561);(176.123367,0.982777);(179.156029,1.058106);(180.184228,7.314489);(181.1766,23.029202);(182.133564,1.661066);(183.146541,6.449204);(195.149632,1.219702);(196.175613,7.727441);(197.169422,12.754577);(199.147886,5.808687);(201.168447,20.038981);(208.155438,0.511889);(210.140636,0.79261);(213.161263,6.590439);(223.138904,0.926681);(224.164106,14.151872);(225.140898,27.073284);(227.126549,7.473829);(240.13638,3.181493);(241.150986,12.841385);(269.262789,89.766418);(270.093567,100.0)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(150.997055,1.309248);(151.999807,1.282996);(176.941327,0.905348);(211.067916,0.976999);(260.078887,0.505719);(261.000978,0.917753);(269.095565,100.0);(272.046609,0.789506);(272.984377,0.700106);(286.08936,6.268408);(287.064966,1.664888)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(150.99785,1.69876);(152.000886,1.610841);(180.015534,0.541911);(181.03614,0.503469);(211.063581,1.487739);(212.091504,0.559174);(261.095589,0.551216);(267.049616,0.510609);(269.09729,100.0);(272.067912,0.631187);(286.092364,8.208416);(287.101448,1.561973)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(156.899122,0.025931);(159.000001,0.059329);(161.000001,0.024872);(163.070379,0.028227);(165.117749,0.028211);(167.083334,0.021599);(168.083906,0.023488);(168.990058,0.105437);(170.077136,0.046745);(171.250001,0.037933);(172.02529,0.026538);(172.916668,0.058217);(173.166668,0.065987);(177.166668,0.025358);(179.077679,0.046775);(181.184521,0.048678);(183.027994,0.087424);(183.250001,0.048075);(183.939435,0.053714);(185.046522,0.047806);(186.239143,0.024835);(187.084605,0.253059);(187.500002,0.02421);(188.083335,0.023475);(190.870666,0.021825);(191.241695,0.0243);(193.083335,0.03447);(194.916668,0.042528);(195.166668,0.077175);(196.000002,0.034812);(196.250002,0.034756);(196.849345,0.042037);(197.250002,0.037908);(198.083335,0.021758);(199.119393,0.039328);(201.123876,0.05049);(202.953702,0.039237);(205.121443,0.061277);(207.000002,0.02272);(207.079837,0.036158);(208.032183,0.026206);(208.916669,0.04061);(209.166669,0.034437);(210.166669,0.031511);(210.833336,0.040249);(211.083336,0.083793);(211.750002,0.033332);(212.000002,0.024139);(212.166669,0.040617);(212.916669,0.079284);(213.166669,0.076983);(215.333336,0.062226);(217.112934,0.04236);(218.083336,0.021729);(219.100725,0.056228);(220.10809,0.025707);(221.037939,0.082592);(223.140791,0.115898);(224.05227,0.036675);(225.053611,0.200122);(225.950647,0.070007);(226.166669,0.051112);(227.116231,0.087933);(227.916669,0.043475);(228.166669,0.026803);(229.000003,0.114792);(229.250003,0.116475);(231.083336,0.023766);(231.250003,0.028087);(232.833336,0.026871);(233.16667,0.047368);(234.083336,0.021489);(234.91667,0.02805);(235.250003,0.036204);(236.750003,0.023968);(237.000003,0.040349);(237.250003,0.07308);(238.203516,0.046882);(239.16219,0.088091);(240.144664,0.063697);(240.91667,0.112819);(241.16667,0.173715);(242.154129,0.076488);(243.155571,0.099716);(243.41667,0.043253);(244.020317,0.029411);(245.083337,0.036474);(247.000003,0.028877);(247.333337,0.050028);(247.96564,0.030648);(248.250003,0.029135);(249.000003,0.039093);(250.833337,0.039925);(251.083337,0.130794);(252.196915,0.057997);(253.189888,0.133834);(254.208179,0.051942);(254.250004,0.051942);(255.203183,0.248223);(256.20562,0.164991);(256.66667,0.025884);(257.131569,0.273647);(257.91667,0.036022);(259.13161,0.045723);(259.91667,0.02479);(261.130628,0.049168);(263.191078,0.049793);(264.111424,0.021857);(265.196404,0.178898);(265.750004,0.023885);(266.197998,0.044013);(267.143387,0.110514);(267.666671,0.022036);(268.055922,0.103865);(268.333337,0.04527);(269.07149,0.712014);(270.055159,0.080353);(270.416671,0.023258);(271.219842,0.188568);(272.041699,0.05662);(272.583337,0.040851);(272.916671,0.072977);(273.250004,0.079709);(275.042346,0.050296);(275.416671,0.02259);(276.184817,0.037512);(277.162304,0.045205);(278.000004,0.036797);(278.833338,0.025119);(279.250004,0.106749);(280.083338,0.072444);(280.333338,0.059584);(281.141975,0.282189);(282.163896,0.157177);(283.244459,0.375286);(284.166671,0.103921);(284.271718,0.119949);(284.833338,0.025725);(285.179243,0.176098);(286.000005,0.030071);(286.088819,0.039107);(287.115993,0.099391);(287.416671,0.027508);(289.045244,0.051945);(289.416671,0.025675);(289.666671,0.027391);(290.022787,0.022542);(291.000005,0.033882);(291.250005,0.041982);(293.181435,0.139556);(294.000005,0.041752);(294.250005,0.040077);(294.833338,0.0646);(295.166671,0.122534);(296.083338,0.049938);(296.333338,0.033683);(296.500005,0.050225);(297.138152,0.175664);(298.248297,0.02892);(299.220229,0.142067);(299.987795,0.088429);(300.333338,0.123258);(301.190762,0.132593);(302.199447,0.024766);(303.166672,0.024728);(304.166672,0.024393);(304.916672,0.045894);(305.166672,0.062449);(305.166672,0.062449);(306.145237,0.02396);(306.666672,0.025384);(307.336571,1.224152);(308.000005,0.037883);(308.333338,0.025708);(309.149839,0.171066);(310.000005,0.068474);(310.250005,0.072344);(311.126277,0.192796);(311.916672,0.039525);(312.166672,0.029978);(312.500005,0.040109);(313.281079,0.180418);(314.416672,0.038422);(315.218801,0.114865);(316.166672,0.024204);(316.867257,0.036759);(317.250005,0.065397);(318.250005,0.030343);(319.000005,0.043283);(319.250005,0.048967);(320.166672,0.031111);(321.083339,0.101293);(321.333339,0.182928);(322.000006,0.025547);(322.250006,0.028816);(323.192896,0.190412);(323.500006,0.092897);(324.315613,0.053502);(325.201016,0.126856);(326.250006,0.042148);(326.916672,0.036082);(327.250006,0.14536);(328.333339,0.042084);(328.916672,0.027603);(329.250006,0.117291);(330.211926,0.025741);(331.190381,0.058312);(332.22133,0.041316);(333.198153,0.103862);(333.916673,0.02597);(335.372321,0.174284);(336.083339,0.042);(336.416673,0.060436);(336.833339,0.078606);(337.083339,0.167836);(337.333339,0.127503);(337.916673,0.030478);(338.250006,0.031385);(338.416673,0.031134);(339.000006,0.133586);(339.333339,0.11809);(340.249756,0.095735);(341.166673,0.204544);(341.278884,0.204544);(341.666673,0.027461);(342.256233,0.03722);(343.250006,0.100266);(344.199056,0.047141);(345.092622,0.0635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18);(470.123409,0.310259);(470.50001,0.111829);(470.833343,0.049812);(471.166677,0.092702);(471.166677,0.092702);(472.583343,0.039958);(473.110823,0.055227);(473.416677,0.084748);(474.247186,0.09531);(474.916677,0.066805);(475.369923,0.275248);(476.50001,0.71181);(477.359578,2.248306);(478.460441,0.165147);(479.230918,0.485221);(480.00001,0.092929);(480.416677,0.130704);(481.22083,0.292773);(482.16915,0.09751);(482.416677,0.045394);(483.229825,0.09503);(484.576909,0.025803);(485.166677,0.056308);(485.50001,0.049374);(485.75001,0.064964);(486.166677,0.034888);(486.583344,0.035613);(487.28251,0.036405);(489.083344,0.046051);(489.333344,0.034701);(490.083344,0.099936);(490.500011,0.2704);(491.000011,0.052174);(491.416677,0.083462);(491.750011,0.090674);(492.583344,0.261259);(493.226315,0.58895);(494.333344,1.357946);(495.254165,4.239222);(496.28848,0.256697);(496.750011,0.062742);(496.916677,0.090891);(497.166677,0.090944);(497.416677,0.061559);(497.833344,0.026095);(498.250011,0.039713);(498.500011,0.060839);(498.750011,0.03352);(499.000011,0.029133);(499.333344,0.051203);(499.666678,0.023262);(500.333344,0.027347);(500.534681,0.059756);(500.750011,0.038852);(501.303232,0.151049);(501.916678,0.065344);(502.250011,0.111971);(502.583344,0.121519);(503.25565,0.693749);(503.833344,0.048942);(504.083344,0.033792);(504.333344,0.021554);(505.321438,0.041494);(506.399513,0.49238);(507.199015,0.800418);(508.505441,1.56809);(509.333344,0.54422);(510.000011,0.332142);(510.250011,0.492134);(511.184784,0.651444);(511.916678,0.080635);(512.500011,0.021992);(513.500011,0.043394);(513.750011,0.04651);(514.083345,0.034073);(514.500011,0.032377);(515.250011,0.038822);(515.250011,0.038822);(515.750011,0.105497);(516.000011,0.061492);(516.333345,0.163813);(516.833345,0.156225);(517.166678,0.19082);(517.416678,0.167678);(518.250011,0.056293);(518.500011,0.026393);(518.666678,0.034112);(519.000011,0.139839);(519.174547,0.170327);(520.343305,1.469118);(521.321499,4.144886);(522.333345,0.111987);(522.583345,0.084624);(523.000012,0.123855);(523.250012,0.191215);(523.666678,0.097043);(524.05509,0.285395);(524.333345,0.095737);(524.750012,0.089368);(525.166678,0.033584);(527.29075,0.033361);(527.583345,0.023813);(528.006483,0.04047);(528.916678,0.049819);(529.166678,0.075943);(529.500012,0.087552);(530.075707,0.129824);(530.500012,0.03852);(532.931673,0.035101);(533.333345,0.021891);(537.083345,0.036916);(538.141899,0.097182);(538.750012,0.031495);(539.250012,0.02631)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(163.000001,4.064098);(167.000001,1.869649);(187.000002,1.91737);(194.189664,0.960882);(195.166668,3.620381);(196.833335,1.940373);(200.978235,1.807186);(203.000002,1.001261);(204.787997,1.605654);(205.083335,2.406638);(208.833336,1.411385);(209.083336,1.171751);(212.785481,1.162434);(215.297097,1.102482);(217.083336,1.904224);(222.767192,1.184652);(223.166669,1.125878);(223.859536,1.342239);(227.127278,1.137374);(231.113169,1.63963);(232.833336,1.572594);(233.16667,1.158357);(235.284672,2.175871);(238.268422,1.507221);(239.318142,1.707768);(241.250003,3.905295);(242.76857,1.151433);(243.333337,1.303098);(245.333337,0.877633);(255.215521,4.650645);(255.833337,0.784189);(256.250004,1.010311);(257.215816,4.004797);(261.250004,1.519352);(265.250004,0.769503);(267.195823,1.866703);(269.077541,33.742237);(269.500004,4.794496);(270.250004,1.667626);(273.28175,0.946588);(275.166671,1.225324);(280.916671,1.012553);(281.166671,1.826381);(283.364511,2.611037);(283.750004,1.616708);(286.833338,1.171622);(287.362218,2.728208);(297.416672,4.07837);(299.333338,1.230637);(301.083338,1.319231);(301.416672,0.783586);(307.166672,4.808914);(307.416672,6.191689);(309.166672,1.39748);(310.166672,3.661762);(310.871028,1.123016);(311.348013,1.946922);(312.833339,1.458526);(313.194304,4.78567);(313.416672,1.259124);(323.359584,1.753679);(325.266093,1.064082);(326.833339,2.841741);(329.348372,1.283399);(337.333339,1.23768);(341.333339,1.933025);(344.416673,2.418496);(345.416673,2.655629);(349.250006,1.104867);(349.500006,1.775869);(350.750006,1.509412);(351.330896,6.140037);(353.173189,3.139972);(354.166673,1.078905);(355.206251,3.954426);(360.000007,2.157079);(364.27882,0.964633);(365.193801,6.137926);(366.940206,1.568683);(367.33334,0.645538);(367.58334,2.133617);(369.08334,4.396976);(369.500007,3.962806);(369.750007,2.546517);(371.33334,0.645729);(371.58334,3.103188);(375.08334,2.188191);(376.083341,0.999831);(377.452248,0.806053);(379.166674,2.698301);(379.166674,2.698301);(380.940483,2.726704);(381.416674,3.346327);(382.166674,2.75269);(382.279255,2.75269);(383.000007,1.636839);(383.166674,3.603456);(383.416674,7.58118);(388.333341,1.266695);(393.166674,1.308827);(393.416674,1.531818);(394.916674,1.102053);(397.448716,4.860225);(399.083341,2.196226);(402.000008,1.332837);(402.250008,1.439228);(403.687005,1.704948);(405.353226,2.295105);(406.166675,3.536226);(407.250008,1.309083);(407.603515,2.598518);(409.199055,2.002211);(410.031842,2.087408);(410.538071,4.593527);(411.188742,4.025185);(411.416675,1.917726);(412.000008,0.931729);(417.166675,0.921972);(419.083342,1.267429);(419.333342,2.830178);(420.833342,1.956005);(421.083342,0.82948);(423.083342,1.912071);(423.333342,3.025645);(423.666675,2.023163);(424.550163,1.418346);(424.750009,1.464254);(425.166675,1.474037);(425.166675,1.474037);(427.117898,2.024513);(429.355189,10.075154);(430.750009,0.873761);(431.103745,12.65666);(431.666676,0.609236);(432.121899,1.300428);(433.408157,7.261258);(433.916676,0.832656);(435.500009,0.980369);(437.43956,2.639476);(438.364771,1.474201);(439.250009,1.063119);(440.916676,0.980148);(447.250009,3.114494);(448.943051,0.878309);(449.333343,5.77351);(450.666676,1.320361);(450.916676,3.934739);(451.166676,5.846771);(451.166676,5.846771);(451.583343,1.807131);(452.916676,4.456488);(456.916676,1.89594);(457.333343,2.865943);(457.403749,2.865943);(458.375722,0.814814);(458.998573,3.723615);(459.333343,3.850911);(464.166676,3.731371);(464.61081,1.867794);(465.333343,4.962681);(465.833343,1.410363);(466.25001,1.461605);(466.666677,3.042267);(466.970897,4.433628);(467.583343,5.721931);(469.103634,1.293133);(469.416677,1.610941);(472.416677,0.847736);(473.333343,2.558201);(475.166677,1.081694);(475.785067,0.917801);(476.25001,2.814858);(476.637446,3.017277);(477.25001,13.758233);(477.50001,12.48941);(478.19838,1.724189);(478.627068,1.144478);(479.254597,8.191567);(480.354135,2.534425);(480.782166,1.132044);(481.166677,0.93576);(481.416677,1.691093);(482.119642,2.188501);(484.605732,1.932384);(486.25001,1.076272);(490.666677,1.929764);(491.362472,2.027178);(492.166677,1.194368);(493.166677,1.758122);(493.416677,2.670544);(494.250011,4.075616);(494.43941,7.695462);(495.166677,22.619564);(495.416677,24.840528);(501.250011,1.669905);(502.333344,1.47848);(502.833344,1.614694);(503.355233,5.552734);(503.750011,3.091098);(506.000011,1.210446);(507.166678,3.022487);(508.416678,6.922191);(509.112586,3.482176);(509.583344,8.445821);(509.916678,2.15186);(510.250011,1.883804);(511.027365,3.334787);(516.239812,4.971154);(517.333345,1.405462);(517.691496,1.923234);(518.942423,1.309531);(519.833345,1.099612);(520.166678,2.112104);(520.333345,2.427334);(520.500011,2.890291);(520.693639,3.102289);(521.342121,17.867252);(522.000012,4.004065);(522.940265,3.002304);(524.453799,1.8246);(530.333345,4.333732);(537.916679,1.354986);(539.205553,1.942802);(539.500012,1.654103)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(90.979145,0.63212);(106.999833,2.17223);(132.029244,0.718558);(133.013854,12.217857);(135.006059,4.183483);(141.033746,0.51149);(151.020225,3.493937);(152.060274,1.105855);(153.045013,0.633116);(155.059064,1.491736);(156.034061,0.7041);(157.046328,12.465228);(158.053839,1.296358);(159.047537,9.486522);(161.050133,0.882148);(167.04382,0.748182);(168.064438,0.998172);(169.08033,22.153888);(170.093124,1.803113);(171.063511,1.817714);(173.066156,2.076699);(176.039036,4.287098);(179.072115,3.344398);(180.085678,25.812611);(181.089145,78.809653);(182.064492,11.819067);(183.061617,21.462117);(184.078853,1.458783);(185.067212,0.529256);(186.048625,0.680838);(195.07338,4.104607);(196.070337,26.464139);(197.082104,45.003086);(198.078301,4.38704);(199.063652,18.635692);(200.067769,1.413267);(201.078932,68.555589);(202.086417,6.495959);(207.075943,1.543319);(208.076747,1.489062);(210.071514,2.432516);(211.090938,1.273463);(212.096315,0.517853);(213.078625,22.468394);(214.087123,1.925309);(223.060177,3.192138);(224.088675,48.52757);(225.085338,100.0);(226.072737,10.455948);(227.055031,26.482979);(228.052545,2.010068);(239.105728,0.844405);(240.07219,11.368171);(241.078779,43.999889);(242.088992,5.022048);(251.124612,3.749833);(252.102197,0.567586);(254.104905,0.623493);(263.666673,0.524883);(263.748898,0.640732);(269.085092,66.171067);(270.074442,7.563533)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(133.200628,1.01431);(157.231001,1.025641);(159.239375,0.766163);(169.2711,1.963122);(180.279873,2.113986);(181.269681,6.894015);(183.241504,1.813836);(196.237185,2.187118);(197.251213,3.63829);(199.244368,1.596545);(201.23953,5.905547);(213.267169,2.026425);(224.276762,4.244596);(225.253705,8.005664);(227.222876,2.138944);(240.238353,0.9646);(241.234332,3.692411);(269.356156,79.135196);(270.067622,100.0);(271.090902,0.664139)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(107.126223,0.526948);(133.136518,2.754027);(135.128621,0.939406);(151.157699,0.622317);(157.170618,2.954033);(159.170616,2.180557);(169.192372,5.392473);(173.183931,0.546405);(176.139429,0.822983);(179.192661,0.869774);(180.193434,5.511638);(181.203166,18.114703);(182.16667,1.861023);(183.171968,5.174413);(195.183935,0.984503);(196.181103,6.473052);(197.189321,10.411883);(198.083337,0.573464);(199.168098,4.306159);(201.174274,16.814482);(202.083338,0.594343);(210.163895,0.653518);(213.187741,5.477382);(223.178913,0.765978);(224.188575,11.153682);(225.17352,22.695854);(226.083338,1.090751);(227.150321,6.05121);(240.159906,2.71085);(241.162804,10.508372);(251.156419,0.517931);(269.303469,91.278158);(270.089387,100.0)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(133.145195,2.135528);(135.15011,0.732022);(157.183869,2.167874);(159.188311,1.639859);(169.221766,4.039656);(176.168555,0.670682);(179.209174,0.620459);(180.229074,4.531428);(181.223092,13.703783);(182.16667,1.400259);(183.182116,4.060448);(195.205975,0.749089);(196.209379,4.651557);(197.195465,7.887609);(199.195853,3.561803);(201.18798,12.749933);(213.200136,4.128226);(223.218531,0.505052);(224.199671,8.643386);(225.201128,18.158936);(226.083338,0.758113);(227.161126,4.601925);(240.183548,2.224336);(241.199366,8.112523);(269.301363,88.257737);(270.116571,100.0)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(106.91165,1.084072);(132.93413,6.292059);(134.935907,2.097934);(150.943452,1.375587);(151.991774,0.829494);(154.960378,0.870215);(155.974171,0.551791);(156.972504,6.1029);(157.980407,0.697228);(158.965898,4.599216);(160.966998,0.610575);(167.021455,0.698294);(167.994372,0.752507);(169.009622,11.872702);(169.99566,0.909703);(170.998649,0.956678);(173.001085,1.082683);(175.962785,1.894988);(178.980833,1.66607);(180.009016,12.843691);(180.997025,39.283239);(181.984323,6.012908);(182.983622,11.070307);(183.983134,0.953698);(185.965022,0.549755);(194.990831,2.220519);(196.012253,12.824401);(197.020473,22.329546);(198.013138,2.091601);(198.982577,10.174102);(200.005383,0.725501);(201.005545,33.200501);(202.01147,2.821355);(207.009063,0.719059);(208.001669,0.834809);(209.985482,1.49707);(211.023264,0.588169);(213.018994,12.01084);(214.039604,1.225802);(223.01577,1.41842);(224.025786,24.975131);(225.031875,46.982154);(226.008595,4.485362);(227.003113,12.562922);(227.983895,0.996654);(239.032313,0.567004);(240.02222,5.617813);(241.037668,22.73943);(242.054049,2.439787);(251.0855,0.971557);(269.045253,100.0);(270.032536,10.499446)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(106.906317,1.042284);(131.909141,0.561353);(132.932232,5.591915);(134.914438,1.665982);(150.937448,1.298319);(151.989281,0.626382);(154.963769,0.970543);(155.984043,0.659508);(156.983472,5.962398);(157.97047,0.765828);(158.970974,4.732912);(160.944631,0.526347);(167.021427,0.549191);(167.980085,0.700941);(169.001646,10.787933);(169.977824,0.808572);(170.991459,0.961558);(172.983745,0.948553);(175.975648,1.87277);(179.008923,1.681463);(180.008683,11.802843);(180.999759,37.0539);(181.990669,5.007319);(182.987072,10.347608);(183.977504,0.66396);(195.020462,2.019709);(196.013477,12.465515);(197.014671,20.416686);(198.000625,1.985475);(198.969172,9.285849);(199.987348,0.706972);(201.01131,31.391029);(202.02896,2.326123);(207.019669,0.717506);(207.979575,0.782701);(210.006757,1.324809);(211.012822,0.60536);(213.025593,10.438793);(214.019352,0.798514);(223.01742,1.480371);(224.02398,22.677292);(225.018961,45.449397);(226.009058,3.933555);(227.009939,12.229727);(227.997563,0.953456);(240.029916,5.429903);(241.028157,20.699992);(242.045972,1.843687);(251.07266,0.817696);(269.047805,100.0);(270.028908,9.143349)
LC-MS/MSLinear Ion TrapnegativeNot AvailableView Spectrum(149.75,0.002474);(154.916667,0.003631);(157.916667,0.004527);(160.083334,0.002869);(163.191229,0.021758);(164.750001,0.005083);(166.166668,0.005185);(166.416668,0.003717);(168.250001,0.003226);(169.035685,0.017209);(170.750001,0.011575);(171.666668,0.005443);(172.000546,0.015744);(172.666668,0.00817);(172.850399,0.01391);(174.833335,0.017768);(176.083335,0.00611);(176.781007,0.003404);(178.833335,0.008403);(179.083335,0.011391);(179.962635,0.002853);(180.666668,0.010428);(180.666668,0.010428);(182.782141,0.014712);(183.000001,0.005024);(185.043507,0.006118);(186.032743,0.012986);(186.955287,0.011857);(187.899844,0.014913);(190.250002,0.002321);(190.666668,0.004527);(191.002368,0.05142);(192.115269,0.003664);(192.959476,0.003961);(195.021235,0.008799);(195.945717,0.007704);(196.166668,0.00555);(197.03306,0.00453);(197.916669,0.005266);(198.250002,0.002706);(198.916669,0.003329);(200.038634,0.00378);(200.694052,0.002917);(203.837749,0.013215);(204.833335,0.004402);(205.032641,0.010117);(205.933646,0.004846);(207.916669,0.005076);(208.916669,0.002333);(211.000002,0.005436);(211.333336,0.01452);(211.832027,0.00753);(212.880623,0.005505);(213.186401,0.006361);(214.037857,0.003001);(214.916669,0.003034);(215.500002,0.005349);(215.833336,0.010909);(216.750002,0.002955);(217.112643,0.005834);(218.916669,0.016084);(220.282606,0.003657);(221.833336,0.003671);(222.029405,0.011533);(222.439798,0.003214);(222.925105,0.014769);(223.686315,0.007109);(224.871975,0.020417);(225.750003,0.002965);(226.000003,0.004823);(227.064499,0.014125);(228.083336,0.028336);(228.833336,0.005021);(229.083336,0.005643);(229.250003,0.00878);(229.833336,0.027006);(230.16667,0.003589);(231.020095,0.011205);(231.833336,0.007922);(231.907322,0.007922);(232.833336,0.004001);(233.193907,0.005464);(233.933919,0.014924);(234.84776,0.007004);(235.083336,0.006386);(235.750003,0.009766);(237.099212,0.006174);(237.833336,0.007031);(238.092603,0.012027);(238.890255,0.020817);(239.699931,0.004398);(240.046231,0.020184);(240.647517,0.012568);(241.16667,0.004969);(241.873047,0.009048);(242.16667,0.00464);(242.758096,0.01785);(243.869503,0.004674);(244.368018,0.00354);(245.16667,0.002497);(245.615333,0.003755);(246.12241,0.004782);(246.833337,0.004911);(247.877183,0.003737);(248.333337,0.002866);(248.935492,0.016133);(249.833337,0.014967);(251.16667,0.024998);(251.41667,0.00896);(251.833337,0.005936);(251.995134,0.005431);(252.000003,0.005431);(252.66667,0.00862);(252.91667,0.023494);(253.750004,0.002497);(254.000004,0.009448);(254.185952,0.010287);(254.630601,0.010075);(254.91667,0.039161);(255.250004,0.044849);(256.099689,0.032964);(256.833337,0.014908);(257.083337,0.04041);(258.120143,0.016379);(258.750004,0.002737);(259.66667,0.002759);(259.91667,0.002278);(260.16667,0.003362);(260.66667,0.00552);(260.91667,0.00538);(261.500004,0.004763);(261.750004,0.003484);(262.375979,0.004376);(262.866745,0.003824);(263.083337,0.002758);(263.916671,0.00836);(264.250004,0.004181);(264.916671,0.003849);(264.916671,0.003849);(265.250004,0.013864);(266.033237,0.010654);(266.666671,0.013549);(266.867311,0.023406);(267.166671,0.003065);(267.416671,0.009206);(267.833337,0.038092);(268.166671,0.024968);(269.003127,0.448088);(269.750004,0.023089);(270.000004,0.03308);(270.500004,0.003349);(270.833337,0.023321);(271.166671,0.029502);(271.583337,0.006336);(272.029967,0.002429);(272.416671,0.006502);(272.871696,0.005188);(273.250004,0.00629);(273.833337,0.003267);(274.083337,0.012101);(274.916671,0.010721);(275.166671,0.005293);(275.916671,0.002661);(276.166671,0.005422);(276.962879,0.012389);(278.103572,0.010078);(278.924798,0.006977);(279.274286,0.008408);(280.000004,0.007003);(280.250004,0.003772);(280.968496,0.014363);(281.342075,0.008814);(281.916671,0.006836);(282.337747,0.010289);(282.666671,0.017504);(283.333338,0.037733);(284.083338,0.034316);(284.333338,0.015433);(284.750004,0.003108);(285.097674,0.071336);(286.083338,0.005706);(286.583338,0.006026);(287.177596,0.003645);(287.608174,0.010537);(287.833338,0.004975);(288.796477,0.005725);(289.083338,0.006535);(289.750005,0.005535);(290.000005,0.007642);(290.833338,0.008972);(291.000005,0.012387);(292.158672,0.00415);(293.166671,0.006422);(294.13039,0.009938);(294.833338,0.014411);(295.166671,0.022422);(296.666671,0.00303);(296.916671,0.011669);(297.250005,0.014947);(297.916672,0.019356);(298.166672,0.006869);(299.000005,0.004138);(299.333338,0.029904);(300.212138,0.031062);(300.750005,0.007612);(301.001293,0.006113);(302.000005,0.01881);(302.750005,0.013273);(303.19548,0.011622);(304.333338,0.019928);(304.833338,0.00367);(305.263962,0.012169);(306.333338,0.0112);(307.016452,0.016175);(308.250005,0.002725);(308.666672,0.014837);(309.000005,0.023613);(309.250005,0.019601);(309.500005,0.006812);(309.916672,0.0138);(310.166672,0.019481);(310.833339,0.063778);(311.083339,0.072531);(311.333339,0.076958);(312.226167,0.025204);(312.833339,0.003789);(313.122927,0.013163);(313.500005,0.004649);(313.833339,0.010386);(314.0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LC-MS/MSLinear Ion TrapnegativeNot AvailableView 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513.666678,0.008912);(514.000011,0.00278);(514.916678,0.018513);(515.250011,0.009633);(516.000011,0.007164);(516.366332,0.012561);(516.862849,0.006186);(517.666678,0.015861);(518.166678,0.010023);(519.173014,0.016512);(520.208995,0.23501);(520.750011,0.111321);(521.166678,0.237829);(521.416678,0.181476);(522.000012,0.028141);(522.416678,0.018884);(522.416678,0.018884);(523.201435,0.016629);(524.135097,0.02995);(525.000012,0.00247);(528.833345,0.003293);(529.666678,0.015056);(531.769911,0.005371);(535.166679,0.005269);(535.916679,0.004691);(536.110722,0.00492);(536.500012,0.003442);(536.963368,0.025987);(537.250012,0.007775);(538.109011,0.084815);(538.500012,0.017118);(538.916679,0.038728);(539.250012,0.015326)
LC-MS/MSLC-ESI-TOFnegativeNot AvailableView Spectrum(269.0489,100.0);(270.0524,11.611612)
LC-MS/MSLC-ESI-TOFnegativeNot AvailableView Spectrum(105.0368,6.606607);(107.0147,11.611612);(117.0359,29.92993);(130.044,12.112112);(131.0518,12.612613);(132.0235,95.395395);(133.0311,100.0);(134.0381,63.263263);(135.0459,43.743744);(136.0496,8.308308);(141.0349,10.810811);(143.0518,10.810811);(154.0441,8.708709);(155.0535,11.411411);(156.0378,7.607608);(157.0314,18.818819);(158.0371,9.90991);(159.0472,20.42042);(171.0506,6.706707);(180.0596,9.209209);(182.04,8.308308);(195.0493,7.307307);(223.0442,11.611612)
LC-MS/MSLC-ESI-TOFnegativeNot AvailableView Spectrum(105.0362,2.202202);(107.015,10.11011);(117.0359,11.711712);(119.0519,2.202202);(129.0352,3.403403);(130.0439,6.306306);(131.0524,5.805806);(132.0239,39.339339);(133.0311,100.0);(134.0376,20.42042);(135.045,37.737738);(136.0454,3.403403);(136.0501,3.403403);(141.0359,2.602603);(143.0524,3.403403);(151.0052,5.305305);(154.0455,4.404404);(155.0522,8.008008);(157.0386,8.108108);(158.0401,3.803804);(159.0466,26.226226);(160.0507,3.403403);(161.0301,2.302302);(167.0523,5.205205);(169.0697,7.107107);(171.0479,5.305305);(173.0611,3.603604);(180.061,10.31031);(181.0683,6.006006);(182.0441,5.605606);(183.0474,10.41041);(184.0522,2.302302);(195.0487,4.304304);(196.0542,5.205205);(197.0601,5.305305);(199.0429,4.204204);(201.0575,5.505506);(213.0558,2.702703);(223.0434,8.008008);(224.0507,12.512513);(225.0557,5.305305);(226.0494,2.402402);(227.0384,3.203203);(239.0381,4.904905);(240.0472,4.904905);(241.0536,3.003003);(268.0399,2.802803);(269.0489,22.022022);(270.0526,3.803804)
LC-MS/MSLC-ESI-QFTnegativeNot AvailableView Spectrum(132.0215,0.385789);(133.0294,4.480542);(135.0087,0.539195);(135.0451,0.840161);(151.0037,0.358509);(155.0502,0.412356);(157.0296,0.675303);(157.0659,0.250984);(159.0452,1.846482);(161.0247,0.2455);(167.0502,0.125739);(169.066,0.702766);(171.045,0.21114);(173.0607,0.228027);(176.0118,0.122221);(180.0581,1.092752);(181.0659,1.809144);(182.0373,0.165545);(183.0452,1.286701);(195.0451,0.222809);(196.0531,0.841468);(197.0609,0.830926);(199.0401,0.650126);(201.0558,1.45686);(213.0556,0.534431);(223.0403,0.209729);(224.0481,1.451136);(225.0559,1.128085);(227.0351,0.45582);(240.0424,0.401206);(241.0508,0.547342);(268.0374,0.199569);(269.0456,100.0)
LC-MS/MSLC-ESI-ITFTnegativeNot AvailableView Spectrum(269.0454,100.0)
LC-MS/MSLC-ESI-ITFTnegativeNot AvailableView Spectrum(269.0455,100.0)
LC-MS/MSLC-ESI-ITFTnegativeNot AvailableView Spectrum(91.0191,1.418722);(107.014,3.714441);(132.0215,1.490792);(133.0295,26.244641);(135.0089,4.67791);(135.0453,1.344788);(151.0036,2.834309);(152.0631,2.004873);(155.0504,4.445623);(156.058,1.343166);(157.0295,9.153825);(157.066,7.853895);(159.0452,15.874792);(161.0248,1.879109);(169.0659,29.411979);(171.045,2.25459);(173.0609,3.776863);(176.0117,3.78243);(179.0504,3.733681);(180.0581,32.090962);(181.0659,90.530873);(182.0374,5.718854);(183.0452,33.577997);(195.0454,5.632138);(196.053,30.437466);(197.0608,44.412071);(199.0401,20.001248);(201.0557,70.884163);(210.0324,2.921431);(213.0557,24.255118);(223.0396,3.602377);(224.0479,50.816736);(225.0557,77.688576);(227.0349,22.212845);(240.0428,9.66742);(241.0505,34.495447);(269.0454,100.0)
LC-MS/MSLC-ESI-ITFTnegativeNot AvailableView Spectrum(91.0191,1.504874);(107.0137,4.005597);(132.022,2.519003);(133.0295,24.342509);(135.0088,6.29621);(135.0447,2.131236);(151.0035,3.060764);(152.0633,1.703741);(155.0502,4.355811);(156.0583,2.234401);(157.0295,10.453437);(157.0658,9.795332);(159.0453,17.245776);(161.0241,1.797554);(169.0659,28.026989);(171.0452,2.94423);(173.0613,2.659817);(176.0118,3.008236);(179.0507,4.400875);(180.0581,32.893384);(181.0659,100.0);(182.0372,5.689687);(183.0451,27.919195);(195.0448,4.936306);(196.053,32.313268);(197.0607,45.510745);(199.0401,21.127423);(201.0557,76.692735);(210.0328,3.646502);(213.0557,24.787765);(223.0402,4.127468);(224.0478,58.658953);(225.0557,88.805841);(227.0348,25.816065);(240.0428,13.432811);(241.0505,35.695337)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(271.06,100.0)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(149.0234,0.204962);(153.0182,0.412587);(215.0704,0.355378);(243.0654,0.448556);(271.0601,100.0)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(67.0178,0.140636);(68.997,0.370499);(91.0542,0.8048);(111.0077,0.46419);(119.0492,0.944385);(121.0284,0.400871);(131.0492,0.339713);(133.0283,0.293758);(133.0647,0.177028);(137.0235,0.134685);(141.0699,0.196511);(145.0285,2.690258);(145.0649,0.156089);(147.0442,0.227213);(147.0804,0.217011);(149.0234,4.762944);(153.0183,12.160564);(159.0441,1.818929);(159.0805,0.166534);(165.0183,1.017099);(169.0648,0.919869);(173.06,0.34821);(175.0753,0.159757);(181.0649,0.135634);(183.029,0.20037);(183.044,0.150387);(185.0598,0.118993);(187.039,0.580758);(187.0754,0.769027);(197.0598,1.318607);(200.0467,0.117279);(201.0547,0.296372);(203.0703,0.126863);(213.0547,0.10298);(215.0704,12.532878);(225.0546,0.832438);(226.0627,0.130641);(227.0703,0.408637);(229.0501,0.18651);(242.0565,0.144781);(243.0654,9.926359);(247.0603,0.127921);(253.0497,4.27701);(271.0601,100.0)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(51.0228,0.248516);(53.002,0.135804);(55.0178,1.114954);(63.0229,0.343224);(65.0386,2.366248);(67.0178,5.489585);(68.9971,10.844286);(69.0335,0.83101);(71.0128,0.445392);(77.0385,0.448132);(79.0542,0.129919);(81.0335,1.083671);(83.0127,0.31883);(85.0284,0.156534);(89.0385,1.980787);(91.0543,42.686702);(93.0336,0.136405);(94.0413,0.159468);(95.0128,1.84357);(95.0491,0.396098);(97.0285,0.990487);(103.0543,1.031967);(105.0335,1.376543);(105.0447,0.304555);(105.0699,0.573574);(107.0492,4.491696);(109.0285,2.168884);(109.0648,0.294523);(111.0077,4.120959);(115.0543,1.719281);(116.062,0.110116);(117.0335,0.809634);(117.0699,2.066609);(118.0412,0.411914);(119.0492,17.920111);(121.0285,7.598138);(123.0078,0.581225);(123.0441,0.445218);(125.0234,0.585147);(127.0391,0.408108);(128.0621,1.443081);(129.0698,1.968125);(131.0492,7.418638);(131.0856,2.714568);(132.0568,0.110114);(133.0284,1.845164);(133.0648,1.330731);(134.0364,0.452053);(135.044,3.061273);(137.0234,3.480493);(139.0543,0.121585);(141.0699,12.636341);(143.0857,0.113405);(144.057,1.160493);(145.0285,18.682107);(145.0649,4.705867);(147.0441,3.977139);(147.0805,3.562914);(149.0234,31.926867);(150.0313,1.657762);(151.039,0.132323);(152.062,1.232517);(153.0183,100.0);(155.0492,1.83854);(155.0599,0.565585);(157.0649,1.327843);(159.0441,14.776635);(159.0805,4.713463);(160.0516,0.10231);(161.0599,0.599745);(163.039,0.734763);(165.0183,10.764778);(167.0341,0.778221);(168.0571,0.598034);(169.0649,23.58857);(170.0729,0.1562);(171.0287,0.168148);(171.0439,0.295462);(171.0803,0.151395);(172.0522,0.33165);(173.0599,4.929913);(174.0676,0.535102);(175.0755,3.555646);(177.0184,0.404326);(177.0548,0.480993);(178.0259,0.918947);(179.0491,0.618554);(179.0605,0.138788);(181.0648,1.584463);(183.029,2.721226);(183.0441,3.251995);(184.052,0.528431);(185.0599,2.010616);(187.0391,3.700441);(187.0754,9.081061);(191.034,1.571212);(195.0554,0.103593);(197.0598,27.20568);(198.0674,0.593003);(199.0755,0.133895);(200.0469,3.92401);(201.0547,4.324257);(203.034,0.365652);(203.0706,0.618154);(205.05,0.276389);(207.0438,0.159949);(209.045,0.10633);(211.0391,1.766966);(213.0547,3.008225);(214.0625,0.363869);(215.0704,76.254914);(216.0423,0.144282);(219.0656,1.073586);(224.0465,0.135214);(225.0548,7.278477);(226.0625,1.358458);(227.0705,1.814216);(228.0418,1.901296);(229.0497,1.557282);(235.0393,0.335791);(241.0498,0.740689);(242.0575,2.017168);(243.0654,46.133696);(247.0602,0.505367);(252.0414,0.171389);(253.0497,28.712715);(271.0602,92.985342)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(50.015,0.238903);(51.0228,0.254959);(53.0022,0.272406);(53.0386,0.696209);(55.0179,1.790897);(63.0229,0.69088);(65.0386,15.78102);(67.0179,11.29754);(68.9971,22.385251);(69.0335,3.864765);(71.0127,0.833354);(77.0384,0.691144);(78.0465,0.127919);(79.0178,0.703618);(79.0543,0.853399);(81.0335,2.905856);(83.0127,0.922709);(85.0283,0.494874);(89.0386,4.712945);(90.0465,0.119602);(91.0543,100.0);(92.9972,0.274664);(93.0336,0.429289);(94.0414,0.56517);(95.0128,3.055938);(95.0492,1.126779);(97.0285,2.681838);(103.0542,3.77898);(105.0335,1.995908);(105.0448,0.536987);(105.0699,0.917932);(106.0412,0.514313);(107.0492,9.677178);(108.0206,0.323953);(109.0285,2.250811);(109.0649,0.429041);(111.0077,2.461582);(111.044,0.764608);(115.0543,10.445741);(116.0621,0.712091);(117.0335,0.788969);(117.0699,3.790584);(118.0413,0.743888);(119.0492,18.426203);(119.0857,0.950033);(121.0285,13.050633);(121.0398,0.76333);(122.0363,0.100546);(123.0076,0.434432);(123.044,0.354105);(124.0157,0.115901);(125.0234,0.624436);(126.0312,0.267506);(127.039,0.294016);(127.0543,0.899211);(128.0621,3.256464);(129.0699,2.954243);(131.0492,9.627255);(131.0856,3.18743);(132.0572,0.368306);(133.0286,0.626832);(133.0648,0.876067);(134.0363,0.759669);(135.0441,4.59821);(136.0157,0.13151);(137.0234,3.501033);(139.0545,0.446672);(141.0699,27.680802);(143.049,0.246365);(144.0571,3.627573);(145.0285,8.228005);(145.0649,5.240855);(147.0441,4.265863);(147.0805,2.52348);(149.0234,15.222383);(150.0312,2.36666);(151.0541,0.572068);(152.0621,2.881639);(153.0183,75.39506);(155.0492,4.444928);(155.0601,1.67985);(156.0571,0.317543);(157.0649,1.575001);(158.0726,0.121505);(159.0441,7.776082);(159.0805,3.567991);(160.0519,0.281497);(161.0599,0.337637);(163.039,1.636198);(165.0183,4.218038);(167.0338,0.338004);(167.0494,0.102762);(168.0572,2.350441);(169.0649,23.758767);(170.0728,0.264257);(171.029,0.105562);(171.0442,0.629937);(171.055,0.117464);(171.0799,0.101358);(172.0519,0.84737);(173.0598,3.373603);(174.0676,0.756052);(175.0754,2.401528);(178.026,0.967185);(179.049,0.939725);(179.0605,0.536903);(181.0649,0.951479);(183.0292,1.212059);(183.0442,3.30286);(184.052,0.643748);(185.0598,2.081023);(186.0679,0.333997);(187.0391,1.926018);(187.0754,4.16689);(191.034,1.826342);(195.0553,0.230292);(196.0519,0.582741);(197.0598,23.951185);(198.0676,1.034063);(199.0386,0.111121);(200.0469,5.265456);(201.0547,2.388148);(203.0338,0.558985);(207.0443,0.340709);(208.0525,0.108402);(209.0449,0.295487);(211.0391,1.394173);(213.0547,3.544963);(214.0627,0.654679);(215.0704,19.968485);(216.0416,0.44107);(219.0655,0.468084);(224.0471,0.562641);(225.0548,2.872824);(226.0625,1.004561);(227.0341,0.108324);(227.0705,0.503359);(228.0419,1.504405);(229.0496,0.471996);(235.039,0.337475);(241.0498,0.686375);(242.0574,1.730662);(243.0653,8.811913);(252.042,0.12031);(253.0497,8.542045);(271.0602,5.734598)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(50.015,0.274245);(51.0229,0.304285);(53.0022,0.823099);(53.0386,0.921728);(55.0179,2.421166);(62.0151,0.125063);(63.0229,1.32358);(65.0386,38.388605);(66.0463,0.111934);(67.0178,9.976582);(67.9892,0.113965);(68.9971,25.20254);(69.0335,6.499401);(71.0127,0.483759);(75.0229,0.28992);(77.0385,1.190073);(78.0464,0.501753);(79.0178,1.431716);(79.0542,1.762223);(81.0335,3.383957);(83.0128,1.227157);(85.0283,0.430856);(89.0386,4.652542);(90.0464,0.321894);(91.0542,100.0);(92.9971,0.247434);(93.0335,0.261274);(94.0413,0.510289);(95.0128,1.951624);(95.0492,2.130101);(97.0285,3.519867);(101.0385,0.274781);(102.0465,0.236148);(103.0542,5.01131);(105.0335,1.767933);(105.0447,0.980262);(105.0699,0.630432);(106.0414,0.529799);(107.0492,10.185164);(108.0205,0.534143);(109.0284,1.061017);(109.0649,0.234265);(111.0077,1.097423);(111.0441,0.835467);(115.0543,23.415863);(116.0621,1.422918);(117.0335,0.421114);(117.0699,2.604264);(118.0413,1.021115);(119.0492,8.957283);(119.0856,0.591049);(121.0285,10.700838);(121.0397,0.890354);(123.0441,0.187509);(124.0155,0.261504);(125.0235,0.598776);(126.0311,0.370975);(126.0464,0.242337);(127.0542,1.612273);(128.0621,3.55757);(129.0448,0.381669);(129.0699,1.41229);(131.0492,6.942356);(131.0856,1.092362);(132.057,0.326987);(133.0285,0.294466);(133.0648,0.365438);(134.0362,0.322378);(135.0441,2.898873);(137.0234,1.41625);(139.0542,0.837966);(140.062,0.47154);(141.0699,21.620715);(143.0492,0.469938);(144.057,3.652427);(145.0285,2.683152);(145.0649,3.646119);(147.0441,2.412801);(147.0804,0.423167);(149.0234,4.047299);(150.0312,1.685524);(150.0465,0.222908);(151.0543,0.9581);(152.0621,3.04309);(153.0183,35.313335);(155.0492,4.558567);(155.0602,3.157386);(157.0649,1.074914);(158.0364,0.113933);(158.0727,0.231508);(159.0441,1.695677);(159.0805,1.055314);(160.0519,0.275189);(161.0599,0.12337);(163.039,1.544034);(165.0182,0.877141);(168.057,3.94179);(169.0648,10.776834);(170.0728,0.273513);(171.0441,0.7779);(172.0519,0.847706);(173.0599,0.917599);(174.0676,0.119694);(175.0755,0.330416);(178.0263,0.1035);(179.0491,0.977747);(179.0605,0.733969);(181.0649,0.694528);(183.0288,0.101617);(183.0441,1.076983);(184.0521,0.437129);(185.0597,0.843456);(186.0675,0.113994);(187.0392,0.673203);(187.0755,0.898389);(191.0339,0.609952);(196.0518,0.519347);(197.0598,8.725722);(198.0676,0.351589);(200.0469,2.567329);(201.0548,0.786323);(203.0336,0.429105);(208.0514,0.105467);(211.0389,0.339961);(213.0547,2.067202);(214.0623,0.115771);(215.0703,2.388747);(216.0415,0.241747);(224.0469,0.248948);(225.0548,0.469861);(226.0627,0.481002);(228.0419,0.448978);(241.0496,0.433026);(242.0572,0.65665);(243.0651,0.686342);(253.0498,0.921348)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(50.0151,1.061451);(51.0229,0.760021);(53.0022,2.602325);(53.0386,2.920887);(53.9975,0.402237);(55.0179,3.744013);(61.0073,0.107187);(62.0151,1.331417);(63.023,6.536743);(64.0307,0.358675);(65.0386,100.0);(66.0102,0.112332);(66.0464,0.647467);(67.0179,8.17915);(67.9893,0.616162);(68.0256,0.117724);(68.9971,33.866122);(69.0335,6.576488);(71.0128,0.390874);(74.0151,0.368502);(75.0229,3.081984);(77.0386,2.997952);(78.0464,1.428024);(79.0178,2.744229);(79.0542,2.107258);(81.0335,3.22024);(83.0128,1.055572);(85.0285,0.230619);(89.0386,7.292907);(90.0101,0.241664);(90.0465,0.871533);(91.0543,69.133465);(92.0257,0.226427);(92.9972,0.260011);(93.0336,0.277192);(94.0414,0.734166);(95.0128,0.932047);(95.0492,7.523489);(96.0207,0.124149);(97.0285,2.090652);(101.0386,0.514641);(102.0465,1.490237);(103.0543,5.205422);(105.0336,2.10799);(105.0448,3.615867);(105.0699,0.417803);(106.0414,0.388802);(107.0492,5.97441);(108.0207,0.743013);(109.0285,0.305989);(111.0077,0.539701);(111.044,0.793331);(113.0386,0.236516);(115.0543,45.707788);(116.0621,1.896821);(117.0335,0.236854);(117.07,0.850195);(118.0413,2.013254);(119.0492,1.548188);(121.0285,2.776878);(121.0398,0.792221);(124.0156,0.496901);(125.0389,0.237654);(126.0312,0.357054);(126.0465,1.878647);(127.0543,2.502991);(128.0621,4.655295);(129.0337,0.125729);(129.0448,1.130961);(129.07,0.692679);(130.0415,0.104236);(131.0492,3.070846);(132.0571,0.35468);(134.0364,0.142309);(135.0441,0.52335);(137.0235,0.121389);(139.0543,6.170938);(140.0621,1.918795);(141.0699,5.927239);(142.0413,0.127831);(143.0491,0.371231);(144.0571,1.828559);(145.0284,0.789799);(145.0649,1.825917);(147.0441,0.608916);(149.0234,0.365045);(150.0312,0.351601);(150.0465,1.944879);(151.0544,0.615647);(152.0621,3.964297);(153.0183,5.458112);(155.0493,2.149215);(155.0603,2.976402);(157.065,0.725245);(159.0441,0.25799);(163.0392,0.44056);(167.0495,0.123552);(168.0571,3.717665);(169.0649,2.740779);(171.0442,0.77153);(179.0497,0.398389);(179.0606,0.703333);(181.0652,0.101951);(183.0443,0.106624);(184.0521,0.129038);(185.0599,0.380379);(187.0391,0.120471);(195.0438,0.126032);(197.0598,1.332116);(200.0469,0.245328);(213.0549,0.34361)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(50.0151,3.616903);(51.023,3.945897);(52.0307,0.111254);(53.0022,4.997557);(53.0386,3.642651);(53.9975,0.980792);(55.0179,3.284216);(61.0073,0.765786);(62.0151,4.217716);(63.023,14.38614);(64.0307,0.301227);(65.0386,100.0);(66.0464,0.693003);(67.0178,4.322603);(67.9893,0.969731);(68.0256,0.105325);(68.9971,32.463948);(69.0335,2.777962);(71.0128,0.136129);(74.0151,1.531732);(75.0229,7.863075);(76.0307,0.691105);(77.0386,5.527061);(78.0103,0.147661);(78.0464,1.960527);(79.0178,2.265831);(79.0542,1.084478);(81.0335,1.872766);(83.0128,0.124951);(87.0229,0.660644);(88.0308,0.101867);(89.0386,14.906129);(90.0101,0.822221);(90.0465,1.179596);(91.0179,1.422241);(91.0543,25.336473);(92.0257,0.131918);(92.9971,0.307088);(94.0413,0.47976);(95.0492,9.501387);(96.0207,0.142895);(97.0285,0.451519);(99.023,0.592788);(101.0386,0.361482);(102.0464,2.6114);(103.0543,2.298699);(105.0335,1.529519);(105.0448,4.916864);(107.0492,1.712753);(108.0205,0.268926);(111.0441,0.394129);(113.0384,0.994958);(114.0464,0.530234);(115.0543,38.116555);(116.0621,0.852286);(118.0414,1.419442);(119.049,0.511255);(121.0283,0.567316);(121.0397,0.370605);(125.0387,0.505598);(126.0464,3.110342);(127.0543,1.467214);(128.0621,3.444113);(129.0448,0.917718);(129.0701,0.136324);(131.0493,1.026921);(132.0571,0.149411);(138.0464,0.106527);(139.0543,12.976053);(140.0621,0.723314);(141.07,0.96828);(142.0415,0.153318);(143.0491,0.137535);(144.0571,0.438159);(145.0286,0.104654);(145.0649,0.667825);(150.0465,2.703627);(151.0543,0.400732);(152.0621,2.300005);(153.0182,0.391603);(155.0495,0.460655);(155.0603,1.033171);(157.0648,0.262635);(168.057,1.182506);(169.0648,1.169816);(171.0439,0.128703);(179.0608,0.489689)
LC-MS/MSLC-ESI-QFTpositiveNot AvailableView Spectrum(50.0151,12.888342);(51.023,14.87905);(52.0308,0.538769);(53.0022,12.877648);(53.0386,3.911671);(53.9975,1.830412);(55.0179,3.211394);(61.0073,4.06772);(62.0151,16.364589);(63.023,34.082683);(64.0308,1.002489);(65.0386,100.0);(66.0101,0.473449);(66.0464,0.631631);(67.0178,3.589976);(67.9893,1.165168);(68.0258,0.13877);(68.9971,39.193193);(74.0151,8.094844);(75.0229,16.435778);(76.0307,2.216483);(77.0386,5.936804);(78.0464,2.323745);(79.0179,2.141689);(79.0542,0.517775);(81.0335,1.487606);(87.023,2.297383);(88.0308,0.842169);(89.0386,28.306409);(90.01,1.454425);(90.0465,1.269224);(91.018,1.00105);(91.0543,11.983067);(92.0257,0.242925);(94.0414,0.250229);(95.0492,11.756168);(98.0152,1.350428);(99.0229,1.322703);(101.0386,0.49177);(102.0465,4.277276);(103.0543,1.190769);(105.0335,0.691549);(105.0448,5.884616);(107.0491,0.458157);(113.0386,3.237931);(114.0464,0.908567);(115.0543,29.028949);(118.0413,0.65512);(119.049,0.148203);(121.0286,0.138123);(125.0389,0.255666);(126.0465,3.463115);(127.0541,0.733858);(128.0621,2.289516);(129.0446,0.81433);(131.0494,0.546489);(132.0573,0.229534);(138.0464,0.44936);(139.0543,16.526228);(140.0619,0.194964);(141.0702,0.135374);(145.065,0.166679);(150.0465,3.547236);(151.0544,0.155095);(152.0624,0.893319);(155.0604,0.746759);(168.0568,0.185257);(169.0647,0.812093);(179.0606,0.204308)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(271.06,100.0);(272.075,2.57998)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(145.033,2.19488);(149.028,4.02013);(153.023,10.26533);(159.051,1.58326);(197.07,1.14044);(215.081,11.18024);(243.077,11.50046);(253.062,4.12397);(271.06,100.0);(272.074,3.75572)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(65.038,1.33181);(67.018,2.75712);(68.997,4.78147);(89.038,1.18721);(91.054,29.49554);(95.013,1.27202);(103.054,1.38835);(105.034,1.54599);(107.048,4.78147);(109.026,2.10481);(111.006,3.6421);(115.052,5.83279);(117.067,3.60622);(119.047,19.93912);(121.026,12.87236);(127.05,1.23288);(128.059,2.32442);(129.067,2.74734);(131.048,9.39878);(133.03,1.79713);(135.042,4.07697);(137.022,4.06067);(141.068,20.58056);(144.054,2.60274);(145.027,17.18852);(147.043,5.73168);(149.021,29.36508);(150.028,2.87236);(151.051,1.13394);(152.06,2.2581);(153.015,100.0);(154.02,1.3155);(155.05,4.46619);(157.064,1.88193);(159.046,15.90563);(163.041,1.3242);(165.02,11.03501);(168.059,1.58621);(169.066,28.35399);(173.061,5.50772);(175.077,3.68015);(178.028,1.07067);(181.068,1.56338);(183.044,5.39791);(185.062,2.33312);(187.074,10.24244);(191.037,2.15917);(197.061,27.74516);(198.067,1.44923);(200.048,5.1359);(201.055,4.30202);(211.041,1.77865);(213.056,3.94216);(215.07,54.37052);(216.069,1.71885);(225.053,6.81452);(226.06,1.79496);(227.068,1.61992);(228.039,2.23309);(229.049,1.78408);(242.057,3.16591);(243.065,35.58382);(253.049,21.67863);(271.057,37.16025)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(53.04,1.19678);(55.018,3.71807);(63.023,1.1404);(65.038,32.84768);(67.017,11.7597);(68.996,22.68685);(77.038,3.07852);(79.055,1.48344);(81.035,3.20908);(83.014,1.35156);(89.039,4.61873);(91.055,100.0);(92.059,1.6878);(93.034,1.38184);(95.014,2.47871);(97.03,3.36235);(103.056,6.29707);(105.037,2.88363);(106.042,1.08477);(107.049,13.50237);(108.022,1.61154);(109.029,1.72621);(111.009,2.30274);(115.054,54.22895);(116.06,4.65468);(117.069,5.47209);(118.041,2.64901);(119.05,15.55724);(121.028,19.26206);(125.024,1.18884);(127.053,6.93661);(128.061,8.01892);(129.068,3.70104);(131.049,12.00757);(135.044,5.15989);(137.024,2.37465);(139.055,3.98297);(140.063,1.85676);(141.071,38.29707);(142.075,1.34475);(144.057,7.24125);(145.062,8.44844);(147.044,4.2649);(149.024,6.25544);(150.036,4.47493);(151.055,4.39546);(152.062,7.09366);(153.019,62.44087);(154.025,1.1877);(155.054,12.83255);(157.067,2.40303);(159.052,4.24409);(163.045,3.44182);(165.023,1.53586);(168.062,9.15232);(169.07,18.28382);(170.075,1.11485);(171.05,2.45222);(172.057,1.52261);(173.065,1.73756);(179.06,2.79659);(181.072,1.18448);(183.051,2.16083);(185.068,1.71372);(187.067,2.64333);(191.042,1.00473);(197.066,13.27152);(200.053,4.03406);(201.06,0.93037);(213.062,3.77294);(215.077,3.1334);(253.058,1.55724)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(215.066,0.3003);(243.061,0.4004);(253.045,0.1001);(270.848,0.1001);(271.055,100.0);(272.058,12.71271);(273.061,0.9009)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(145.026,0.1002);(149.021,0.2004);(153.016,0.6012);(197.056,0.1002);(215.067,2.40481);(216.07,0.2004);(225.053,0.1002);(243.061,2.70541);(244.065,0.4008);(253.045,1.1022);(254.048,0.1002);(271.055,100.0);(271.331,0.1002);(272.059,13.22645);(273.06,0.8016)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(119.047,0.1001);(121.028,0.1001);(131.048,0.1001);(141.068,0.2002);(145.027,1.1011);(147.043,0.1001);(147.077,0.1001);(149.021,1.6016);(150.027,0.2002);(153.016,5.70571);(154.019,0.2002);(159.042,0.7007);(165.016,0.6006);(169.063,0.6006);(173.058,0.2002);(175.073,0.1001);(183.032,0.1001);(187.068,0.5005);(197.058,1.2012);(200.045,0.1001);(201.052,0.2002);(211.035,0.1001);(213.052,0.3003);(215.067,13.41341);(216.07,1.6016);(225.052,1.3013);(226.058,0.3003);(227.065,0.4004);(228.045,0.2002);(229.046,0.2002);(242.051,0.3003);(243.062,13.81381);(244.066,1.6016);(247.055,0.1001);(253.046,6.60661);(254.049,0.9009);(271.056,100.0);(271.352,0.1001);(272.06,13.21321);(273.062,0.8008)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(115.052,0.6006);(117.068,0.2002);(119.047,0.9009);(121.027,1.001);(127.051,0.2002);(128.06,0.7007);(129.068,0.5005);(131.047,2.4024);(131.084,0.2002);(132.052,0.1001);(133.026,0.4004);(133.063,0.2002);(134.032,0.1001);(135.041,0.8008);(136.045,0.1001);(137.022,0.7007);(141.068,5.005);(142.072,0.4004);(144.055,0.6006);(145.028,5.2052);(146.031,0.2002);(147.042,1.6016);(147.078,0.7007);(148.081,0.1001);(149.021,10.01001);(150.028,1.4014);(151.049,0.2002);(152.061,0.6006);(153.016,35.03503);(154.019,2.1021);(155.046,0.7007);(157.064,0.7007);(159.042,5.005);(160.046,0.4004);(161.054,0.1001);(163.04,0.3003);(165.016,3.2032);(166.019,0.1001);(168.055,0.2002);(169.062,10.01001);(170.065,1.001);(171.034,0.2002);(173.056,1.9019);(174.065,0.1001);(175.073,1.2012);(176.075,0.1001);(177.015,0.1001);(177.056,0.1001);(178.021,0.3003);(179.042,0.2002);(181.061,0.8008);(183.036,1.9019);(184.046,0.5005);(185.055,1.2012);(186.062,0.2002);(187.07,4.3043);(188.041,0.1001);(188.076,0.4004);(191.033,0.6006);(196.05,0.1001);(197.057,12.31231);(198.06,2.2022);(199.069,0.3003);(200.044,3.003);(201.052,2.3023);(202.056,0.2002);(203.036,0.2002);(203.067,0.1001);(205.047,0.1001);(207.038,0.1001);(209.045,0.1001);(211.035,1.001);(213.051,3.5035);(214.058,0.7007);(215.067,55.15516);(216.07,6.90691);(217.063,0.4004);(219.064,0.5005);(224.041,0.2002);(225.052,6.70671);(226.058,2.4024);(227.066,1.8018);(228.039,1.6016);(229.046,1.9019);(230.049,0.1001);(235.034,0.4004);(241.045,0.7007);(242.054,3.003);(242.817,0.1001);(243.061,45.34535);(244.064,5.90591);(245.069,0.2002);(247.057,0.5005);(252.037,0.3003);(253.046,30.53053);(253.199,0.1001);(254.048,4.6046);(255.053,0.2002);(269.034,0.1001);(271.056,100.0);(271.349,0.1001);(271.427,0.1001);(272.059,15.11512);(273.062,0.9009)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(101.137,0.1001);(102.046,0.1001);(107.054,0.1001);(115.053,5.80581);(116.057,0.8008);(117.069,1.1011);(118.044,0.1001);(118.103,0.1001);(119.047,2.9029);(120.053,0.2002);(121.027,4.9049);(122.029,0.6006);(124.708,0.1001);(125.023,0.1001);(126.029,0.1001);(126.043,0.3003);(127.053,2.002);(128.06,3.003);(129.068,2.6026);(130.07,0.2002);(131.049,8.20821);(131.083,0.6006);(132.053,0.8008);(132.091,0.3003);(132.958,0.1001);(133.028,0.4004);(133.064,0.9009);(134.035,0.3003);(135.043,4.7047);(137.022,3.003);(138.031,0.2002);(138.625,0.1001);(139.05,0.6006);(141.069,31.13113);(141.112,0.1001);(141.146,0.2002);(142.072,3.9039);(143.05,0.4004);(144.056,4.004);(145.03,9.00901);(145.062,2.6026);(146.03,0.4004);(146.066,0.7007);(147.044,5.60561);(147.078,1.001);(147.432,0.1001);(148.046,0.6006);(149.022,15.71572);(150.028,4.5045);(151.05,1.5015);(152.06,3.6036);(153.017,100.0);(153.238,0.1001);(153.689,0.1001);(154.019,5.50551);(154.077,0.2002);(155.047,4.8048);(156.053,0.8008);(157.062,2.4024);(158.175,0.1001);(159.045,9.90991);(159.073,2.002);(160.048,1.1011);(160.078,0.4004);(161.053,0.3003);(163.036,2.4024);(163.053,0.1001);(164.041,0.3003);(165.017,6.30631);(166.019,0.3003);(167.033,0.8008);(168.054,3.6036);(169.062,38.43844);(169.131,0.2002);(169.186,0.2002);(170.067,3.5035);(171.047,0.7007);(171.077,0.3003);(172.049,0.9009);(173.058,5.4054);(174.061,2.1021);(175.073,3.3033);(176.074,0.3003);(177.055,0.3003);(178.025,1.2012);(179.044,1.4014);(180.054,0.4004);(180.934,0.1001);(181.062,1.4014);(182.068,0.4004);(183.038,6.40641);(184.05,1.1011);(185.057,3.5035);(186.062,0.8008);(187.069,7.60761);(188.044,0.9009);(188.073,0.3003);(191.03,3.003);(195.023,0.2002);(196.052,0.1001);(197.057,39.43944);(198.061,7.70771);(199.069,0.9009);(200.043,11.01101);(200.189,0.1001);(201.051,6.00601);(202.053,1.3013);(203.03,1.7017);(203.083,0.1001);(204.041,0.1001);(205.04,0.1001);(207.04,0.5005);(209.046,0.9009);(210.146,0.1001);(211.038,2.6026);(212.051,0.3003);(213.053,11.21121);(214.056,4.4044);(215.067,68.96897);(215.16,0.1001);(215.184,0.1001);(215.217,0.1001);(216.068,9.50951);(216.133,0.1001);(217.054,0.7007);(217.077,0.2002);(219.064,0.8008);(223.037,0.2002);(224.043,1.6016);(225.051,10.81081);(226.058,7.00701);(227.067,2.5025);(227.134,0.1001);(227.18,0.1001);(228.038,5.60561);(229.045,3.8038);(230.059,0.2002);(231.03,0.1001);(235.036,1.4014);(236.032,0.2002);(241.046,3.5035);(242.054,8.30831);(243.062,47.84785);(243.136,0.1001);(244.066,7.50751);(245.063,0.2002);(247.056,0.3003);(252.036,0.9009);(252.958,0.1001);(253.046,44.64464);(254.048,6.60661);(255.054,0.1001);(256.041,0.1001);(257.995,0.1001);(269.042,0.7007);(270.044,0.2002);(270.973,0.1001);(271.056,44.74475);(272.059,7.20721);(272.122,0.3003);(273.064,0.1001);(284.025,0.2002);(285.029,0.2002);(348.24,0.1001);(498.593,0.1001);(891.363,0.1001)
LC-MS/MSLC-ESI-ITFTpositiveNot AvailableView Spectrum(75.814644,0.063362);(83.980301,0.058538);(94.805817,0.058336);(111.007233,0.164131);(119.049294,0.136923);(121.027939,0.293957);(123.460205,0.059557);(129.070557,0.079788);(131.04895,0.097397);(133.028534,0.328831);(145.028381,2.650647);(147.043762,0.078714);(149.02327,4.09924);(152.810593,0.068813);(153.018127,14.558682);(154.021072,0.108126);(159.043991,2.654874);(165.018356,0.616319);(169.064941,0.419302);(173.059525,0.220086);(177.01889,0.077305);(181.066483,0.125416);(182.190948,0.066143);(185.059692,0.089962);(187.039001,0.910615);(197.059845,0.909437);(198.197968,0.059834);(199.075134,0.088033);(201.05452,0.288241);(203.070724,0.134946);(214.933609,0.087487);(215.070465,10.861258);(216.074966,0.159612);(225.05481,1.40008);(227.069763,0.345975);(229.049362,0.219313);(243.065567,8.411785);(244.068466,0.175969);(252.48764,0.058075);(253.049927,5.043898);(254.050476,0.125017);(270.568054,0.554059);(271.060364,100.0);(271.254486,0.345825);(271.557556,0.464594);(271.867859,0.219311);(272.063263,34.681989);(272.259583,0.110523);(272.558197,0.095113);(273.149231,0.065299);(292.158142,0.069795)
LC-MS/MSLC-ESI-ITFTpositiveNot AvailableView Spectrum(77.521111,0.121688);(78.692749,0.113723);(91.05365,0.270116);(108.7789,0.117635);(111.007736,0.478321);(119.049088,0.415969);(119.676193,0.139733);(121.028122,1.056367);(127.229187,0.127743);(131.049301,0.439608);(133.028564,1.222625);(141.070236,0.26211);(145.028427,9.230497);(147.044373,0.518118);(149.023407,13.846413);(152.805466,0.149883);(153.018173,49.220832);(153.22908,0.141455);(153.852325,0.144817);(154.02179,0.427097);(157.064499,0.175726);(159.043961,9.59848);(161.061539,0.165917);(165.018311,2.37398);(169.064911,1.229162);(173.059448,1.01647);(175.074829,0.305993);(177.018478,0.282288);(181.064911,0.669479);(183.045517,0.257625);(185.060532,0.431746);(187.039154,2.849705);(188.454056,0.126641);(194.698883,0.124415);(197.059875,3.301142);(198.639282,0.13695);(199.076126,0.221396);(200.045822,0.134509);(201.054672,0.843959);(203.070404,0.552628);(211.038818,0.135754);(214.859253,0.13006);(215.070541,37.343378);(215.425659,0.151627);(215.731735,0.112719);(216.073303,0.585362);(220.560745,0.145782);(225.054962,5.266561);(227.070633,1.174206);(229.049622,0.691118);(243.065567,27.607957);(244.068924,0.509976);(252.877167,0.144586);(253.04985,17.231773);(254.054169,0.577654);(270.415527,0.124381);(270.55954,0.360397);(270.866547,0.575036);(271.060547,100.0);(271.559753,0.178363);(271.736511,0.16852);(271.868958,0.467405);(272.063477,80.182748);(272.260498,0.291625)
LC-MS/MSLC-ESI-ITFTpositiveNot AvailableView Spectrum(73.225258,0.208413);(74.792336,0.180229);(75.021057,0.192543);(89.0383,0.246814);(104.096657,0.198136);(109.02813,0.206844);(111.007591,0.575705);(115.055046,0.343126);(119.049011,0.770209);(121.028046,1.528376);(124.356079,0.183697);(129.070435,0.230408);(131.04924,0.78283);(133.028183,1.867098);(141.070389,0.409905);(145.028442,14.651884);(146.030624,0.406549);(147.044312,0.538973);(149.023407,22.178556);(150.025986,0.51153);(153.018158,80.92616);(154.0215,2.201083);(157.065063,0.407362);(158.723709,0.23824);(159.043915,15.402567);(160.047485,0.592598);(161.059753,0.268158);(165.018204,3.827655);(169.064713,2.38384);(173.059525,1.691067);(175.075653,0.453411);(177.017746,0.389677);(181.065247,1.132559);(183.044373,0.429495);(185.059082,0.814876);(187.039062,4.747657);(188.040222,0.260971);(193.785156,0.208061);(197.05983,5.850527);(198.06218,0.503387);(199.075439,0.296641);(201.054642,1.585615);(203.070541,0.804327);(211.037781,0.249573);(213.055618,0.286812);(214.932022,0.320971);(215.070465,61.073443);(216.07373,3.70141);(225.054779,8.849922);(226.059906,0.464347);(227.069992,2.034497);(229.050491,0.933358);(231.722153,0.22233);(242.899918,0.276072);(243.065475,46.199132);(244.068939,2.943122);(249.194473,0.201156);(249.352448,0.196977);(253.049652,28.69322);(254.053192,2.283064);(270.867706,0.317461);(271.060455,52.251891);(271.248352,0.242212);(271.566071,0.266543);(271.672821,0.27606);(271.867523,0.618419);(272.063538,100.0);(272.253204,0.230512)
LC-MS/MSLC-APPI-QQpositiveNot AvailableView Spectrum(36.400002,0.001291);(37.25,0.002581);(37.825,0.005162);(39.059868,0.392349);(41.091268,1.241579);(43.069349,1.34741);(44.099998,0.003872);(44.400002,0.003872);(44.900002,0.002581);(45.099998,0.002581);(48.299999,0.001291);(49.099998,0.001291);(49.400002,0.003872);(49.799999,0.007744);(50.099998,0.011616);(51.137963,0.278774);(53.119259,1.045404);(55.0664,2.258589);(56.325,0.005162);(56.599998,0.005162);(56.900002,0.010325);(57.271428,0.018069);(58.450001,0.002581);(58.900002,0.003872);(59.299999,0.001291);(59.5,0.001291);(59.700001,0.002581);(60.5,0.002581);(63.104786,1.564234);(65.093141,44.103147);(67.090017,10.343047);(69.059913,29.69722);(71.080986,0.366537);(71.900002,0.003872);(72.300003,0.002581);(72.5,0.001291);(72.699997,0.001291);(72.900002,0.002581);(73.25,0.002581);(73.862502,0.02065);(74.996597,0.682739);(77.075363,6.406649);(79.050668,3.866705);(81.073778,3.327224);(83.039303,1.628765);(85.023244,0.47753);(85.900002,0.005162);(87.099998,0.027103);(89.112513,6.147234);(91.068282,100.0);(93.068106,3.018766);(95.031818,2.157921);(97.079712,2.773547);(98.099998,0.003872);(98.400002,0.003872);(98.724998,0.005162);(99.337502,0.010325);(101.068286,0.903436);(103.081352,4.408766);(105.016916,2.594151);(107.03872,7.826334);(109.05,0.689192);(111.02792,0.906017);(115.078045,29.650758);(116.128161,1.571978);(117.114504,2.108877);(119.05942,4.850159);(121.04529,5.864588);(123.084242,0.212953);(124.088236,0.351049);(125.063498,0.678867);(127.06609,5.670995);(128.089379,3.523399);(129.107457,1.349991);(131.121892,4.681087);(132.149068,0.20779);(133.12958,0.183268);(135.064093,1.570687);(137.058593,0.660799);(139.069057,2.285692);(141.132479,12.950105);(144.08672,2.915516);(145.065088,2.780001);(147.082718,1.433881);(149.063964,1.719109);(150.1055,2.064996);(151.117658,2.733538);(153.041459,19.213495);(155.055828,3.631811);(157.12561,0.846648);(159.072567,1.166723);(161.107317,0.105831);(161.825001,0.015487);(163.061464,1.05831);(164.199997,0.010325);(165.059616,0.469787);(168.082711,3.971245);(169.080082,5.39093);(171.037609,0.885367);(172.067151,0.353631);(173.113669,0.358793);(174.090001,0.090344);(175.070002,0.129062);(175.899994,0.010325);(176.100006,0.007744);(176.300003,0.009034);(176.812502,0.010325);(178.094118,0.087762);(179.118087,0.742108);(181.12,0.451718);(183.115433,0.418162);(184.090477,0.271031);(185.099999,0.556258);(187.102219,0.698227);(188.0875,0.02065);(189.157896,0.024522);(189.600006,0.003872);(190.040002,0.006453);(191.110294,0.351049);(191.9,0.006453);(192.650002,0.002581);(193.050003,0.002581);(193.300003,0.001291);(193.5,0.002581);(195.20404,0.127772);(197.140832,4.124829);(198.050932,0.20779);(200.09559,1.521644);(201.899994,0.003872);(203.112501,0.1652);(204.199997,0.001291);(205.030771,0.016778);(205.600006,0.001291);(205.899994,0.001291);(207.199997,0.024522);(208.199997,0.021941);(209.114288,0.018069);(209.874996,0.005162);(210.133336,0.007744);(210.399994,0.001291);(211.111817,0.141968);(211.899994,0.014197);(213.086692,1.377094);(215.126297,1.069926);(215.936667,0.077437);(216.313638,0.028394);(217.0,0.025812);(217.5,0.003872);(219.199997,0.001291);(219.399994,0.001291);(222.300003,0.001291);(222.849998,0.023231);(223.379996,0.012906);(224.128845,0.134225);(225.100953,0.271031);(226.165875,0.162618);(227.171999,0.096797);(228.122989,0.224568);(229.099997,0.06195);(230.100006,0.001291);(230.300003,0.001291);(233.600006,0.001291);(233.800003,0.001291);(234.0,0.001291);(235.023077,0.067112);(236.300003,0.005162);(236.899994,0.005162);(237.600006,0.001291);(238.75,0.002581);(239.5,0.003872);(239.800003,0.001291);(240.050003,0.005162);(240.399994,0.005162);(241.17072,0.286518);(242.205334,0.29039);(243.144444,0.348468);(244.300003,0.001291);(245.399994,0.001291);(249.75,0.002581);(250.899994,0.007744);(251.399994,0.003872);(252.114285,0.054206);(253.127248,0.487855);(254.300003,0.001291);(254.75,0.002581);(255.300003,0.002581);(255.699997,0.001291);(256.0,0.002581);(256.5,0.002581);(256.700012,0.001291);(268.299988,0.001291);(269.125,0.06195);(270.0,0.001291);(271.14655,0.149712);(272.0,0.001291);(284.0,0.001291);(285.5,0.001291);(298.200012,0.001291)
LC-MS/MSLC-APPI-QQpositiveNot AvailableView Spectrum(31.349999,0.002882);(36.599998,0.001441);(38.483334,0.008646);(39.055883,0.09799);(40.299999,0.010087);(41.10773,0.298292);(43.052921,0.838677);(43.799999,0.002882);(44.0,0.002882);(44.599998,0.001441);(44.900002,0.001441);(47.200001,0.001441);(49.5,0.002882);(49.85,0.002882);(51.144,0.072051);(52.0,0.01441);(53.097794,0.391959);(55.080157,1.285395);(55.900002,0.007205);(56.299999,0.001441);(56.728571,0.010087);(57.233334,0.012969);(58.200001,0.001441);(58.5,0.001441);(59.049999,0.002882);(59.299999,0.001441);(60.5,0.002882);(61.0,0.002882);(61.700001,0.005764);(63.101198,0.481303);(65.092941,14.329563);(67.089419,8.607248);(69.049032,19.938036);(71.057534,0.42078);(72.199997,0.002882);(72.599998,0.001441);(72.800003,0.001441);(73.300003,0.001441);(73.699997,0.001441);(73.900002,0.005764);(74.333333,0.008646);(75.040506,0.113841);(75.893752,0.023056);(77.050301,2.394985);(79.039639,2.072195);(81.084984,3.070826);(83.064815,1.089416);(84.037499,0.011528);(85.047742,0.446718);(86.149998,0.008646);(86.400002,0.005764);(89.102484,5.220837);(91.064081,100.0);(93.066816,2.249442);(95.031446,3.129908);(97.067584,2.356078);(98.124998,0.005764);(98.5,0.002882);(98.699997,0.001441);(98.900002,0.004323);(101.061777,0.324231);(103.062026,3.726493);(105.039798,3.135673);(107.039128,10.271633);(109.054393,2.066431);(111.026797,1.844513);(111.900002,0.012969);(115.062987,16.888825);(117.090764,3.338857);(119.056655,13.467829);(121.023286,9.963254);(123.03425,0.471216);(124.039744,0.3372);(125.047479,0.685928);(127.079047,4.415304);(128.090608,3.16017);(129.104258,2.504503);(131.114539,8.702356);(133.083284,0.965487);(135.052128,3.79278);(137.051467,2.357519);(139.095402,1.002954);(141.124505,22.357519);(145.042536,8.977592);(147.105134,4.266878);(149.041054,8.971828);(150.08308,2.657252);(153.035049,52.996614);(155.065631,4.637222);(157.114524,1.468406);(159.08031,6.133007);(161.049431,0.253621);(163.095954,1.353123);(165.036596,3.165934);(166.23,0.057641);(169.064195,16.187045);(171.05672,1.072123);(173.116147,2.124072);(174.128572,0.423662);(175.093651,1.270985);(175.955553,0.025938);(177.08572,0.030262);(178.088917,0.546149);(179.130448,0.8992);(180.182225,0.129692);(181.140996,0.752216);(183.095902,2.180272);(184.097955,0.704662);(185.112064,1.36177);(187.095528,3.415232);(188.178574,0.040349);(188.923529,0.024497);(189.399994,0.018733);(191.071057,1.553426);(191.899994,0.004323);(192.150002,0.008646);(192.399994,0.001441);(192.883329,0.008646);(193.300003,0.008646);(194.0,0.007205);(194.275002,0.005764);(197.128201,15.697096);(200.084816,4.194827);(201.060406,1.703293);(203.113907,0.487067);(204.100001,0.004323);(205.058974,0.1124);(207.097261,0.21039);(207.941379,0.08358);(208.319232,0.037467);(209.110344,0.08358);(209.800003,0.008646);(211.039407,0.680164);(213.09469,2.876288);(215.102885,13.885727);(217.158335,0.069169);(218.300003,0.002882);(219.100006,0.001441);(220.5,0.002882);(221.0,0.001441);(221.199997,0.001441);(221.5,0.001441);(221.699997,0.001441);(222.739999,0.01441);(223.276921,0.037467);(225.121244,1.899272);(226.091631,0.654226);(227.135547,0.368903);(228.076898,0.873262);(229.143434,0.570646);(230.0,0.004323);(230.399994,0.001441);(230.600006,0.001441);(230.800003,0.002882);(231.0,0.005764);(233.899994,0.002882);(234.199997,0.001441);(234.399994,0.005764);(235.058948,0.136897);(235.699997,0.01441);(236.212502,0.046113);(236.899994,0.005764);(237.5,0.002882);(238.0,0.001441);(238.600006,0.001441);(239.0,0.005764);(239.399994,0.002882);(239.600006,0.004323);(240.1625,0.011528);(241.178454,0.615318);(242.204176,1.311334);(243.181278,5.841919);(244.5,0.001441);(245.0,0.001441);(245.300003,0.001441);(246.899994,0.001441);(247.199997,0.004323);(247.399994,0.002882);(248.600006,0.001441);(249.199997,0.001441);(250.5,0.002882);(251.186666,0.021615);(253.123928,5.408171);(254.250002,0.023056);(255.0,0.004323);(255.366664,0.008646);(255.600006,0.001441);(256.075001,0.011528);(259.5,0.001441);(261.200012,0.001441);(264.0,0.001441);(266.0,0.002882);(267.5,0.001441);(267.899994,0.001441);(269.05349,0.123928);(271.118409,5.996109);(272.550003,0.005764);(274.799988,0.001441);(279.299988,0.001441);(284.299988,0.001441)
LC-MS/MSLC-APPI-QQpositiveNot AvailableView Spectrum(37.599998,0.001746);(38.200001,0.001746);(38.5,0.001746);(39.233334,0.020954);(40.299999,0.001746);(41.104167,0.041909);(41.800001,0.005239);(42.371429,0.024447);(43.056329,0.275901);(43.700001,0.001746);(44.900002,0.001746);(45.200001,0.001746);(50.599998,0.001746);(51.200001,0.006985);(52.0,0.001746);(53.064444,0.078579);(53.916668,0.010477);(55.017355,0.422582);(55.700001,0.006985);(56.799999,0.008731);(57.5,0.005239);(59.099998,0.003492);(60.0,0.001746);(60.700001,0.001746);(61.0,0.005239);(61.94,0.008731);(62.400002,0.006985);(63.0025,0.069848);(65.078759,2.137357);(67.095489,3.174603);(69.051605,8.050011);(70.199997,0.008731);(71.040259,0.268916);(71.900002,0.001746);(72.099998,0.001746);(73.0,0.001746);(73.400002,0.003492);(73.75,0.003492);(74.300003,0.005239);(74.949999,0.01397);(75.950001,0.020954);(77.066071,0.7823);(77.800003,0.019208);(78.19,0.069848);(79.03149,0.410358);(81.074331,1.23806);(81.983334,0.010477);(83.041,0.349241);(83.800003,0.005239);(84.0,0.005239);(85.058334,0.209545);(86.300003,0.005239);(86.5,0.005239);(86.962501,0.01397);(89.091536,2.434212);(91.05887,50.123108);(93.073567,1.096618);(95.004933,2.088463);(97.054959,1.267746);(98.0,0.001746);(98.5,0.001746);(98.950001,0.006985);(99.699997,0.001746);(100.199997,0.001746);(100.400002,0.003492);(101.111904,0.073341);(103.055402,1.648419);(105.01016,3.16238);(107.034447,5.90567);(109.04432,2.643756);(111.023237,3.862608);(112.400002,0.008731);(113.122581,0.108265);(115.066125,4.08263);(117.084985,3.384148);(119.052267,16.79152);(121.021607,8.760717);(122.996939,1.026769);(125.028713,0.705467);(127.084533,1.941781);(128.109472,2.212443);(129.093232,2.631533);(131.110395,10.314841);(133.076123,2.449928);(135.038045,3.965635);(137.030576,3.609409);(139.093163,0.408612);(141.126873,17.434124);(145.029824,21.148305);(147.099713,7.300889);(149.043307,28.539997);(153.029694,97.948208);(155.052955,3.132694);(155.938458,0.090803);(157.130192,1.723506);(159.075896,16.024936);(161.120588,0.474968);(163.076169,1.157735);(165.039487,11.444637);(169.069226,24.342117);(171.053978,0.614665);(173.096607,4.630939);(175.109615,3.123963);(176.300003,0.020954);(177.122807,0.398135);(178.114065,1.018038);(179.066885,0.532593);(181.073514,1.292193);(183.091283,3.525591);(185.100939,2.233398);(187.099225,10.819495);(188.0,0.024447);(189.157893,0.066356);(191.073609,2.448181);(192.0,0.006985);(192.199997,0.005239);(193.054545,0.038417);(197.121989,26.413118);(200.098835,5.697871);(201.093903,4.582046);(203.094455,0.944698);(204.25,0.010477);(205.015928,0.197321);(206.150002,0.006985);(207.050487,0.179859);(208.081816,0.076833);(209.10875,0.139697);(211.075344,1.522692);(213.086147,3.80673);(215.098164,62.196378);(217.123256,0.150174);(217.800003,0.001746);(218.899994,0.003492);(219.100006,0.005239);(219.449997,0.003492);(221.100006,0.001746);(221.300003,0.001746);(221.699997,0.001746);(222.100006,0.003492);(223.091665,0.041909);(225.11513,6.440009);(226.113707,1.681597);(227.14308,1.564601);(228.079276,1.786369);(229.128691,1.667627);(230.349998,0.006985);(231.062504,0.01397);(231.300003,0.003492);(233.899994,0.003492);(235.049463,0.324794);(236.005,0.069848);(237.25,0.010477);(237.899994,0.003492);(238.25,0.003492);(238.674999,0.006985);(239.121053,0.033178);(241.147234,0.820717);(243.17678,35.119702);(244.699997,0.001746);(245.0,0.001746);(245.300003,0.003492);(245.650002,0.006985);(246.399994,0.001746);(247.125004,0.006985);(247.550003,0.006985);(248.199997,0.001746);(248.800003,0.001746);(249.600006,0.003492);(250.0,0.005239);(250.739999,0.017462);(251.199997,0.010477);(253.117934,22.531301);(255.025002,0.006985);(256.316671,0.020954);(260.5,0.001746);(260.700012,0.001746);(263.299988,0.001746);(264.200012,0.006985);(265.200012,0.005239);(265.799988,0.001746);(266.0,0.001746);(266.399994,0.001746);(266.600006,0.001746);(266.799988,0.005239);(267.200012,0.003492);(267.600006,0.005239);(268.177785,0.015716);(268.5,0.01397);(269.195536,0.195575);(271.122879,100.0);(273.100006,0.001746);(284.324989,0.006985)
LC-MS/MSLC-APPI-QQpositiveNot AvailableView Spectrum(39.099998,0.001391);(40.900002,0.001391);(41.299999,0.000927);(41.950001,0.000927);(42.200001,0.000464);(43.016668,0.005564);(44.0,0.000464);(45.5,0.000464);(50.299999,0.000927);(50.799999,0.000464);(51.200001,0.000927);(51.950001,0.000927);(52.299999,0.000927);(52.799999,0.000927);(53.200001,0.000464);(53.799999,0.000464);(54.978948,0.00881);(55.5,0.000927);(57.0,0.000464);(58.700001,0.000464);(59.200001,0.000464);(61.599998,0.000464);(61.799999,0.001391);(62.200001,0.000464);(62.5,0.000927);(63.166667,0.004173);(64.0,0.001391);(64.5,0.003246);(65.129786,0.043587);(65.800003,0.001391);(66.025,0.001855);(67.056081,0.068627);(67.800003,0.001391);(69.018864,0.204026);(69.800003,0.000464);(70.649998,0.002782);(71.0,0.002782);(71.233332,0.002782);(73.300003,0.000464);(73.800003,0.000464);(74.400002,0.001855);(75.199997,0.001855);(75.400002,0.000927);(75.850002,0.001855);(76.099998,0.000464);(76.300003,0.000927);(77.115687,0.023648);(77.971429,0.003246);(78.350002,0.000927);(79.400002,0.003246);(79.699997,0.000927);(80.0,0.000464);(81.039394,0.030604);(81.699997,0.000464);(81.900002,0.000464);(82.099998,0.001391);(82.5,0.000464);(82.883335,0.002782);(83.25,0.00371);(84.199997,0.000464);(85.199997,0.004637);(85.699997,0.000464);(85.900002,0.000464);(86.099998,0.000464);(86.649998,0.000927);(87.0,0.001391);(87.350002,0.000927);(87.599998,0.001391);(89.092307,0.06028);(91.054001,1.431426);(92.0,0.001855);(92.400002,0.001391);(93.093103,0.026894);(94.039999,0.009274);(94.976316,0.070482);(96.033333,0.002782);(97.048001,0.046369);(98.5,0.000927);(99.099998,0.001391);(100.300003,0.000464);(100.649998,0.000927);(101.383335,0.002782);(102.0,0.003246);(103.044,0.046369);(103.900002,0.003246);(105.018773,0.128444);(107.02,0.153019);(107.780002,0.004637);(109.033553,0.140963);(111.015721,0.424745);(111.800003,0.000927);(112.699999,0.001391);(113.099998,0.001391);(113.300003,0.000927);(113.599998,0.001391);(113.900002,0.000464);(115.132847,0.127052);(116.037499,0.007419);(117.071491,0.211445);(119.047905,1.438382);(121.044485,0.512847);(121.983334,0.002782);(123.047368,0.088102);(124.970834,0.022257);(127.032743,0.052398);(128.14717,0.049152);(129.065417,0.111287);(130.0,0.007883);(131.124665,0.552724);(133.082695,0.423354);(135.04104,0.160438);(135.844999,0.009274);(137.072223,0.217009);(139.119353,0.014375);(139.790909,0.010201);(141.114965,0.663084);(142.100006,0.002782);(145.021146,3.512953);(147.109553,0.611614);(149.032796,5.236971);(153.030056,13.289499);(155.00566,0.147455);(156.100006,0.003246);(157.144891,0.127052);(159.075907,2.417242);(160.234999,0.009274);(161.041466,0.038023);(161.699997,0.000464);(161.949997,0.000927);(163.091953,0.080683);(165.028292,1.704543);(166.199997,0.001391);(167.028262,0.02133);(169.075851,1.989252);(169.9475,0.018548);(171.081818,0.086711);(173.131343,0.621351);(175.1096,0.347771);(175.949997,0.002782);(177.09077,0.06028);(178.062143,0.129835);(179.132558,0.039878);(181.13595,0.224428);(182.0,0.005101);(183.098613,0.334324);(185.068498,0.253177);(187.104394,1.709643);(187.899994,0.003246);(188.150002,0.002782);(188.800003,0.002782);(189.016668,0.002782);(189.399994,0.001391);(189.800003,0.000464);(190.100006,0.001391);(191.09274,0.1405);(192.100006,0.000464);(192.699997,0.001855);(192.899994,0.002318);(193.320001,0.004637);(193.699997,0.000927);(193.949997,0.000927);(194.399994,0.001391);(197.116734,2.771041);(200.090564,0.452103);(201.059219,0.59353);(202.163157,0.00881);(203.087729,0.151165);(205.052173,0.02133);(207.11091,0.025503);(207.800003,0.000927);(208.087505,0.00371);(208.5,0.002782);(209.09403,0.031068);(210.178947,0.01762);(211.047237,0.184551);(213.097474,0.367246);(215.098732,16.161626);(217.045836,0.011129);(218.300003,0.000464);(218.75,0.000927);(219.300003,0.000927);(220.899994,0.000927);(221.699997,0.000464);(222.399994,0.000464);(222.600006,0.000464);(225.100905,1.434209);(226.075605,0.19197);(227.14185,0.421035);(228.101442,0.192897);(229.075579,0.360755);(230.100006,0.000464);(230.300003,0.001391);(230.849998,0.002782);(233.600006,0.000464);(234.399994,0.000927);(235.068295,0.019011);(236.130003,0.004637);(236.800003,0.000927);(237.050003,0.000927);(237.300003,0.000927);(237.5,0.000464);(238.0,0.000464);(238.300003,0.000464);(238.5,0.001391);(239.077776,0.02504);(239.699997,0.002318);(239.949997,0.000927);(241.141353,0.123343);(243.165631,10.883849);(244.5,0.001855);(245.199997,0.000464);(246.0,0.000464);(246.849998,0.000927);(247.349998,0.001855);(247.600006,0.000464);(249.399994,0.000927);(250.0,0.000464);(250.199997,0.000464);(250.8,0.002318);(253.104857,5.80407);(254.899994,0.001391);(255.300003,0.000464);(256.0,0.002318);(256.366659,0.002782);(257.299988,0.000464);(258.0,0.000464);(259.700012,0.000464);(259.899994,0.000927);(260.299998,0.002782);(261.0,0.000464);(261.799988,0.000927);(262.5,0.000464);(262.700012,0.000464);(263.600006,0.000464);(263.899994,0.001391);(264.600006,0.000464);(265.200012,0.000927);(265.5,0.001855);(265.949997,0.001855);(266.200012,0.002318);(266.433329,0.002782);(266.899994,0.002318);(267.200012,0.002318);(268.200012,0.007883);(271.112508,100.0);(273.849991,0.000927);(274.299988,0.000464);(275.0,0.000464);(275.200012,0.000464);(279.399994,0.000464);(284.0,0.000464);(284.299988,0.000464);(285.200012,0.000464)
LC-MS/MSLC-APPI-QQpositiveNot AvailableView Spectrum(43.200001,0.002083);(45.299999,0.002083);(53.0,0.002083);(55.299999,0.002083);(57.299999,0.004165);(64.699997,0.004165);(65.099998,0.008331);(65.400002,0.008331);(67.099998,0.004165);(67.400002,0.002083);(67.900002,0.004165);(68.099998,0.002083);(68.300003,0.002083);(68.599998,0.002083);(69.199999,0.012496);(71.199997,0.002083);(71.400002,0.004165);(75.400002,0.002083);(76.099998,0.002083);(76.400002,0.002083);(76.800003,0.002083);(78.950001,0.004165);(81.199997,0.002083);(82.850002,0.004165);(86.900002,0.002083);(88.800003,0.002083);(89.099998,0.002083);(89.75,0.004165);(90.0,0.002083);(90.375002,0.008331);(90.893752,0.033322);(91.127776,0.037488);(91.400002,0.022909);(91.950001,0.004165);(92.800003,0.002083);(93.199997,0.002083);(94.099998,0.002083);(94.800003,0.004165);(95.149998,0.004165);(96.900002,0.004165);(97.300003,0.002083);(97.5,0.002083);(97.900002,0.004165);(102.5,0.002083);(102.800003,0.002083);(104.599998,0.002083);(104.900002,0.008331);(105.400002,0.004165);(106.5,0.002083);(106.900002,0.006248);(107.199997,0.004165);(107.400002,0.002083);(108.099998,0.002083);(108.900002,0.004165);(109.099998,0.004165);(109.5,0.004165);(110.599998,0.002083);(111.133331,0.012496);(111.5,0.002083);(113.099998,0.002083);(114.5,0.002083);(115.0,0.006248);(115.300003,0.004165);(115.5,0.002083);(115.950001,0.004165);(117.300003,0.002083);(117.900002,0.004165);(118.149998,0.004165);(118.699997,0.006248);(119.199997,0.014578);(119.900002,0.002083);(120.699997,0.008331);(121.0,0.016661);(121.900002,0.002083);(122.599998,0.002083);(123.199997,0.004165);(123.5,0.002083);(123.950001,0.004165);(125.099998,0.002083);(126.800003,0.002083);(127.400002,0.002083);(127.950001,0.004165);(128.899994,0.008331);(130.699997,0.002083);(130.966665,0.012496);(131.800003,0.002083);(132.399994,0.002083);(132.849998,0.012496);(133.200003,0.014578);(133.899994,0.002083);(134.699997,0.004165);(134.899994,0.008331);(135.300003,0.002083);(135.600006,0.002083);(136.766668,0.012496);(137.100006,0.002083);(138.800003,0.004165);(140.5,0.004165);(141.144446,0.037488);(142.600006,0.002083);(143.399994,0.002083);(143.849998,0.008331);(144.981817,0.183272);(146.300003,0.002083);(147.266668,0.012496);(147.600006,0.006248);(147.800003,0.004165);(148.100006,0.006248);(149.024617,0.270743);(150.399994,0.002083);(150.699997,0.004165);(151.100006,0.004165);(151.300003,0.002083);(151.5,0.002083);(151.800003,0.006248);(152.999442,0.747667);(154.650002,0.004165);(155.300003,0.004165);(156.399994,0.002083);(157.0,0.004165);(157.300003,0.004165);(158.0,0.004165);(158.199997,0.008331);(159.07931,0.120793);(159.800003,0.002083);(160.199997,0.002083);(160.600006,0.002083);(160.825001,0.008331);(161.25,0.016661);(162.5,0.002083);(163.349998,0.004165);(163.600006,0.002083);(164.919997,0.041653);(165.265386,0.054149);(166.899994,0.002083);(167.399994,0.002083);(167.699997,0.004165);(168.0,0.002083);(168.300003,0.004165);(169.094595,0.077058);(170.650002,0.004165);(171.299998,0.012496);(173.100006,0.014578);(173.899994,0.004165);(174.800003,0.004165);(175.215386,0.027074);(176.650002,0.004165);(177.199997,0.002083);(177.399994,0.004165);(177.800003,0.002083);(178.300003,0.004165);(179.199997,0.014578);(179.5,0.006248);(180.349998,0.004165);(181.399994,0.008331);(181.699997,0.002083);(182.800003,0.002083);(183.0,0.014578);(183.275002,0.008331);(184.100006,0.002083);(184.300003,0.002083);(184.979997,0.020826);(185.449997,0.012496);(185.699997,0.002083);(187.198077,0.108297);(187.699997,0.002083);(188.300003,0.002083);(189.100006,0.002083);(189.399999,0.012496);(190.699997,0.002083);(190.899994,0.004165);(191.100006,0.002083);(191.399994,0.002083);(193.075005,0.016661);(193.300003,0.008331);(195.100006,0.002083);(195.399994,0.002083);(197.093901,0.170776);(197.899994,0.002083);(198.5,0.002083);(199.449997,0.008331);(200.140002,0.020826);(200.399994,0.012496);(200.985713,0.029157);(202.25,0.004165);(203.142857,0.014578);(204.300003,0.002083);(207.0,0.002083);(208.399994,0.002083);(209.199997,0.002083);(210.0,0.004165);(210.300003,0.002083);(210.962502,0.033322);(211.300003,0.014578);(211.5,0.006248);(211.800003,0.002083);(212.300003,0.002083);(212.899994,0.010413);(213.249997,0.024992);(213.600006,0.006248);(215.085394,1.768161);(217.100006,0.002083);(220.800003,0.002083);(221.0,0.004165);(221.25,0.004165);(221.600006,0.002083);(223.699997,0.002083);(223.899994,0.002083);(224.150002,0.004165);(224.399994,0.006248);(225.082357,0.07081);(225.800003,0.002083);(226.150002,0.016661);(226.424995,0.008331);(227.040002,0.020826);(227.466665,0.012496);(227.899994,0.002083);(228.199997,0.012496);(228.399994,0.004165);(228.938458,0.027074);(229.33125,0.033322);(230.800003,0.004165);(231.100006,0.002083);(234.800003,0.002083);(235.199997,0.004165);(237.199997,0.004165);(238.349998,0.012496);(238.954997,0.041653);(239.325001,0.041653);(240.199997,0.002083);(241.174999,0.008331);(241.600006,0.002083);(243.130864,1.518244);(244.0,0.002083);(244.399994,0.002083);(246.899994,0.002083);(251.899994,0.004165);(252.100006,0.002083);(253.068441,0.587304);(254.25,0.004165);(255.849998,0.004165);(256.100006,0.004165);(256.700012,0.004165);(262.600006,0.002083);(264.5,0.002083);(266.0,0.002083);(266.774994,0.008331);(267.399994,0.002083);(267.700012,0.002083);(268.100006,0.008331);(268.366659,0.012496);(271.105335,100.0);(273.0,0.004165);(273.25,0.004165)
LC-MS/MSLC-APPI-QQpositiveNot AvailableView Spectrum(74.800003,0.005166);(82.900002,0.005166);(88.0,0.005166);(90.599998,0.005166);(90.800003,0.005166);(104.300003,0.005166);(105.900002,0.005166);(106.5,0.005166);(116.900002,0.005166);(125.5,0.005166);(130.100006,0.005166);(133.300003,0.010332);(135.0,0.010332);(143.100006,0.010332);(144.800003,0.005166);(145.199997,0.005166);(149.0,0.020664);(149.199997,0.005166);(149.699997,0.005166);(152.5,0.005166);(153.0,0.020664);(153.399994,0.005166);(155.399994,0.010332);(157.100006,0.005166);(158.899994,0.010332);(160.600006,0.005166);(161.300003,0.005166);(164.799998,0.015498);(173.399994,0.005166);(176.899994,0.005166);(177.300003,0.005166);(178.899994,0.010332);(179.300003,0.005166);(180.0,0.005166);(182.899994,0.005166);(183.300003,0.005166);(185.349998,0.010332);(186.699997,0.005166);(187.0,0.005166);(193.199997,0.010332);(193.5,0.005166);(196.399994,0.005166);(196.800003,0.005166);(197.050003,0.030997);(198.899994,0.005166);(199.300003,0.005166);(200.100006,0.005166);(200.949997,0.010332);(202.800003,0.005166);(203.600006,0.005166);(206.800003,0.005166);(207.199997,0.005166);(210.800003,0.015498);(211.199997,0.010332);(212.0,0.005166);(212.5,0.005166);(215.003333,0.154983);(218.300003,0.005166);(221.199997,0.005166);(221.600006,0.005166);(224.849998,0.010332);(225.100006,0.005166);(225.300003,0.005166);(225.600006,0.005166);(226.199997,0.005166);(226.799998,0.015498);(227.199997,0.005166);(229.300003,0.005166);(229.5,0.005166);(235.100006,0.005166);(239.154545,0.113654);(241.300003,0.005166);(243.094595,0.191145);(251.699997,0.005166);(252.300003,0.005166);(253.260714,0.144651);(254.300003,0.005166);(256.200012,0.005166);(257.5,0.005166);(268.399994,0.005166);(268.799998,0.015498);(271.101798,100.0);(272.449997,0.030997);(277.600006,0.005166);(286.5,0.005166)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(65.0278,5.782965);(67.0076,5.312663);(68.9874,10.973698);(69.0253,3.292109);(89.0325,3.535969);(91.0485,80.874412);(91.0977,9.475701);(103.0506,3.797248);(107.0454,9.597631);(109.025,3.553388);(111.0044,3.448877);(115.0515,14.457412);(117.0674,4.110782);(119.0468,20.188121);(121.0262,13.917436);(127.0526,5.155896);(128.0607,3.988852);(129.0684,4.406898);(131.0479,12.053649);(131.0836,4.441735);(135.043,6.026825);(137.0226,4.476572);(141.0692,38.68664);(141.1295,3.744992);(144.057,5.173315);(145.0276,11.565929);(145.0644,7.228706);(147.0438,6.009406);(147.0796,3.100505);(149.0231,22.173837);(150.0302,4.006271);(151.0545,3.274691);(152.0613,3.866922);(153.0181,100.0);(153.0804,11.496255);(155.0486,6.828079);(159.044,10.851768);(159.0803,4.755269);(165.0182,8.204146);(168.0576,3.954015);(169.0652,33.548162);(173.0596,5.016548);(175.0758,3.640481);(183.0444,5.46943);(187.0407,3.239854);(187.0759,6.235847);(197.0607,36.24804);(200.0485,7.577077);(201.0545,5.051385);(213.0557,5.852639);(215.0711,33.495907);(225.0553,4.650758);(242.058,3.361784);(243.0659,16.54764);(253.0503,14.213552);(271.0606,16.721825)
LC-MS/MSLC-ESI-QTOFpositiveNot AvailableView Spectrum(65.0278,1.422846);(68.9871,1.226453);(91.0486,8.328657);(115.0515,2.633267);(119.0465,1.655311);(121.0263,1.198397);(131.0478,1.142285);(141.0689,2.877756);(145.0284,1.983968);(149.0229,3.298597);(153.0182,12.208417);(153.0797,1.026052);(159.0441,1.51503);(165.0188,1.078156);(169.0654,2.88978);(197.0604,3.122244);(215.0712,7.831663);(243.0662,5.094188);(253.0502,2.873747);(271.0606,100.0);(271.1437,5.695391);(272.0646,6.192385)
LC-MS/MSLC-ESI-ITFTpositiveNot AvailableView Spectrum(91.0542,3.299328);(95.0127,0.158152);(105.0334,0.23152);(105.0699,0.122223);(107.0491,0.254825);(109.0283,0.134633);(111.0076,0.617583);(117.0702,0.197412);(119.0491,2.937994);(121.0283,0.786877);(128.062,0.111742);(129.0697,0.234749);(131.049,0.709308);(131.0853,0.227239);(133.0284,0.365917);(133.0647,0.275546);(135.044,0.235491);(137.0232,0.348301);(141.0699,0.840669);(145.0284,4.238932);(145.0648,0.503381);(147.044,0.514931);(147.0803,0.394422);(149.0232,7.402977);(153.0181,21.124343);(155.0488,0.141504);(157.0648,0.26132);(159.044,3.018706);(159.0805,0.567751);(165.0182,2.392984);(169.0647,2.91816);(173.0597,0.797488);(175.0754,0.523022);(178.0258,0.149761);(181.0649,0.317427);(183.0289,0.319823);(183.0441,0.361146);(185.06,0.274611);(187.039,0.963768);(187.0753,1.888335);(191.0345,0.236979);(197.0597,4.036685);(200.0466,0.494184);(201.0546,0.758781);(203.0703,0.259139);(211.0388,0.209414);(213.0546,0.25987);(215.0702,26.029337);(225.0546,1.817905);(226.0634,0.257237);(227.0702,0.624336);(228.0418,0.255566);(229.0494,0.506518);(242.0575,0.317046);(243.0651,21.59382);(253.0495,9.655827);(271.06,100.0)
LC-MS/MSLC-ESI-ITFTpositiveNot AvailableView Spectrum(89.0385,2.657865);(91.0541,100.0);(95.0127,2.655434);(105.0333,1.693408);(105.0699,0.913092);(107.049,9.506309);(109.0283,1.424782);(111.0076,2.354188);(115.0541,10.275468);(117.0698,3.244489);(119.049,26.731716);(121.0283,12.472922);(128.0619,2.717016);(129.0697,2.714424);(131.049,10.112628);(131.0854,3.372345);(133.0281,0.534281);(133.0646,0.73126);(135.044,4.561356);(137.0232,2.604696);(141.0697,32.295807);(145.0283,7.924727);(145.0647,4.977021);(147.0439,5.022812);(147.0804,2.378441);(149.0232,14.532748);(152.0619,2.76462);(153.0181,98.752008);(155.0489,5.535242);(157.0646,1.716351);(159.0439,7.650716);(159.0803,3.881309);(165.0181,5.174987);(169.0646,27.957914);(173.0596,3.727576);(175.075,1.982148);(178.0258,0.807229);(181.0646,1.244251);(183.0286,0.674283);(183.044,4.487942);(185.0598,2.004825);(187.0386,2.499877);(187.0752,5.28934);(191.0338,2.894964);(197.0595,30.503354);(200.0466,6.638978);(201.0546,2.775408);(211.0389,1.264411);(213.0542,4.336953);(215.07,30.207255);(225.0544,3.483193);(226.0625,1.89467);(227.0708,0.469575);(228.0413,1.703636);(229.05,0.716446);(241.0493,0.883967);(242.057,3.061118);(243.065,14.302628);(253.0494,12.509178);(271.0599,10.450871)
LC-MS/MSLC-ESI-ITFTpositiveNot AvailableView Spectrum(91.0542,0.105817);(111.0077,0.247296);(119.0488,0.164571);(121.0283,0.377179);(131.049,0.297973);(133.0282,0.643786);(133.0648,0.181488);(145.0282,4.44564);(147.0437,0.201832);(147.0804,0.107876);(149.0231,6.633605);(153.0179,24.519675);(157.0646,0.162894);(159.0438,4.603075);(165.0181,1.075694);(169.0647,0.478727);(173.0594,0.432061);(175.0756,0.125963);(177.0175,0.11028);(181.0642,0.316107);(183.0438,0.146508);(185.0595,0.207742);(187.0388,1.325137);(187.0752,0.602199);(197.0594,1.397094);(201.0545,0.327138);(203.0702,0.234919);(215.0699,18.456346);(225.0544,2.280213);(227.0698,0.651799);(229.0496,0.295675);(243.0647,14.749371);(253.0492,8.640748);(271.0597,100.0)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(43.01838972,0.0304938186);(51.0234751,0.005595467);(55.01838972,0.0959610627);(67.01838972,0.0013035712);(68.99765427,0.0127728273);(69.03403978,0.0749991565);(79.01838972,0.0486149232);(89.03912516,0.000722449);(119.0496898,0.1998847852);(133.0289544,0.0072554338);(135.0446045,0.0366329977);(137.023869,0.0051090932);(139.0395191,0.0004623578);(153.0187836,0.6970034912);(179.0344337,0.0005658577);(185.023869,0.0015559174);(193.0500838,0.0109236232);(199.0395191,0.0022099278);(203.0344337,0.0978794181);(211.0395191,0.0025864093);(217.0500838,0.1166804535);(223.0395191,0.0072727301);(225.0187836,0.0006612661);(227.0344337,0.0079426585);(229.0500838,0.2076061971);(241.0500838,0.5841577595);(243.0293483,0.1600598013);(245.0449984,0.1146169275);(253.0500838,2.157168314);(255.0293483,0.2651736872);(271.0606485,95.04612762)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(43.01838972,0.0697153677);(51.0234751,0.4305395149);(55.01838972,0.1598493842);(67.01838972,0.0310549916);(68.99765427,0.2090714205);(69.03403978,0.2117607481);(79.01838972,0.3849452109);(89.03912516,0.0117711459);(119.0496898,0.4058776867);(133.0289544,0.0534193119);(135.0446045,0.1765057474);(137.023869,0.0644655415);(139.0395191,0.0302224313);(153.0187836,1.185224828);(179.0344337,0.0258624718);(185.023869,0.0125065057);(193.0500838,0.2375741543);(199.0395191,0.0949567406);(203.0344337,0.4411840359);(211.0395191,0.0845094427);(217.0500838,0.7966597537);(223.0395191,0.1270839452);(225.0187836,0.0117281371);(227.0344337,0.0274732092);(229.0500838,3.846908242);(241.0500838,3.421750633);(243.0293483,0.5381558077);(245.0449984,0.2734689171);(253.0500838,4.082004794);(255.0293483,0.6202183885);(271.0606485,81.93353149)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(43.01838972,1.655911712);(51.0234751,4.214544504);(67.01838972,0.8923608409);(68.99765427,3.613582683);(69.03403978,1.689130999);(77.03912516,1.165589938);(79.01838972,3.015402209);(85.0289544,3.912066495);(89.03912516,3.718514563);(105.0340398,0.770573132);(111.008219,2.198524118);(119.0496898,6.112066956);(121.0289544,0.8138085017);(133.0289544,1.092639356);(135.0446045,1.995621755);(137.023869,1.725141548);(153.0187836,16.33125626);(161.0602545,0.6551119329);(185.023869,1.673180463);(199.0395191,2.08353733);(203.0344337,1.176620732);(211.0395191,2.924986703);(217.0500838,0.8472338264);(223.0395191,6.606267314);(227.0344337,1.185286532);(229.0500838,3.55558592);(241.0500838,6.766948769);(243.0293483,0.8832538878);(253.0500838,11.0729683);(255.0293483,0.8568122408);(271.0606485,4.79547048)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(17.00273965,0.1513094459);(41.00273965,0.073517869);(49.00782503,0.0002019982);(65.00273965,0.0001961548);(67.01838972,0.0494190265);(77.00273965,0.0048928506);(83.01330434,0.0008397546);(87.0234751,0.0001244623);(101.0027397,0.0002412521);(117.0340398,0.2702421632);(131.0133043,0.0754082149);(133.0289544,0.2003574706);(135.008219,0.0022547085);(137.023869,0.0001583647);(151.0031336,0.6468116229);(157.0289544,0.0004333537);(159.0446045,0.0002316251);(177.0187836,0.0002665405);(191.0344337,0.0108664103);(197.023869,0.0001613319);(201.0187836,0.0281178417);(201.0551691,0.0171275255);(215.0344337,0.0220541874);(221.023869,0.0007380683);(227.0344337,0.2024081797);(239.0344337,0.1780309862);(241.0136983,0.0123788484);(243.0293483,0.0846421645);(251.0344337,0.781133742);(253.0136983,0.0330138803);(269.0449984,97.15241996)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(17.00273965,0.1371340519);(41.00273965,0.0866549972);(65.00273965,0.0053490005);(67.01838972,0.0861899609);(77.00273965,0.0300091413);(83.01330434,0.0098798704);(117.0340398,0.7315592923);(119.0133043,0.0114837148);(131.0133043,0.0233806523);(133.0289544,0.135101899);(135.008219,0.3039471896);(137.023869,0.2181009702);(151.0031336,1.776572532);(157.0289544,0.0060936305);(159.0446045,0.0133440393);(161.023869,0.0142180375);(177.0187836,0.0229245302);(185.023869,0.0075107165);(191.0344337,0.0514319881);(197.023869,0.0220927073);(201.0187836,0.1610584225);(201.0551691,0.0957645857);(215.0344337,0.1746883614);(221.023869,0.0059197434);(227.0344337,1.996774503);(239.0344337,0.7123636001);(241.0136983,0.1973358589);(243.0293483,0.3703785414);(251.0344337,1.871216658);(253.0136983,0.0937787066);(269.0449984,90.6277421)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,1.689685735);(49.00782503,0.7204595588);(65.00273965,2.012931799);(67.01838972,2.283541008);(75.0234751,1.099276747);(77.00273965,0.6372294113);(83.01330434,6.489326095);(87.0234751,1.100153899);(92.99765427,1.620172129);(108.9925689,0.9862568146);(117.0340398,16.8322191);(131.0133043,1.281978048);(133.0289544,2.369058757);(135.008219,2.854012636);(137.023869,0.906604793);(151.0031336,11.43090136);(157.0289544,1.044966347);(159.0446045,2.381004889);(161.023869,1.416953379);(171.0446045,0.9671198581);(185.023869,1.510104555);(197.023869,2.466707885);(201.0187836,0.9667073185);(201.0551691,1.69219672);(215.0344337,0.8010989191);(227.0344337,11.20259265);(239.0344337,3.040037266);(243.0293483,1.540978239);(251.0344337,3.976582579);(253.0136983,0.9743973186);(269.0449984,11.70474419)

Food Sources

NameGroup
ChickpeaPulses and beansShow
Red cloverPulses and beans PublicationsShow

Food Sources of its Food Phytochemical(s)

Food PhytochemicalFood SourceFood Source Group
GenisteinChickpeaPulses and beansShow
Biochanin AChickpeaPulses and beansShow
GenisteinRed cloverPulses and beans PublicationsShow
Biochanin ARed cloverPulses and beans PublicationsShow
6''-O-AcetylgenistinSoy beanSoy and soy productsShow
6''-O-MalonylgenistinSoy beanSoy and soy productsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Genistein Genisteinhumanplasma, serum, urineunchanged5h-8h0.5-2 µmol/L10-30%C15H10O5270.052823422 Publications
Genistein 4-Ethylphenolhumanurinegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC8H10O122.073164942 Detailed Intervention Studies Publications
Genistein Dihydrogenisteinhumanurinegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC15H12O5272.068473486 Publications
Genistein Genistein 7-O-glucuronidehumanplasma, urinehost metabolism3h-5h<20 nmol/LNot AvailableC21H18O11446.0849114 Publications
Genistein Genistein O-sulfateNot AvailableNot Availablehost metabolismNot AvailableNot AvailableNot Available
Genistein 6'-Hydroxy-O-desmethylangolensinhumanurinegut microbiota metaboliteNot AvailableNot AvailableNot AvailableC15H14O5274.084123551 Publications
Genistein Genistein 4',7-diglucuronidehumanplasmahost metabolism5h-8h50-200 nmol/LNot AvailableC27H26O17622.116999377 Detailed Intervention Studies Publications
Genistein Genistein-7-O-glucuronide-4'-sulfatehumanplasmahost metabolism3h-5h50-200 nmol/LNot AvailableC21H17O14S525.034449981 Publications
Genistein Genistein 4'-O-glucuronidehumanplasmahost metabolism3h-5h<20 nmol/LNot AvailableC21H18O11446.0849114 Publications
Genistein Genistein 7-O-sulfatehumanplasmahost metabolism3h-5h50-200 nmol/LNot AvailableC15H10O8S350.009638456 Publications
Genistein Genistein 4'-O-sulfatehumanplasmahost metabolism3h-5h<20 nmol/LNot AvailableC15H10O8S350.009638456 Publications
Genistein 3'-Hydroxygenisteinhumanliver, urinehost metabolismNot AvailableNot AvailableNot AvailableC15H10O6286.047738042 Publications
Genistein 6-Hydroxygenisteinhumanliverhost metabolismNot AvailableNot AvailableNot AvailableC15H10O6286.047738042 Publications
Genistein 8-hydroxy-genisteinhumanliver, urinehost metabolismNot AvailableNot AvailableNot AvailableC15H10O6286.047738042 Publications
Genistein Genistein-4',7-disulfatehumanplasmahost metabolismNot AvailableNot AvailableNot AvailableC15H10O11S2429.96645349 Publications
Genistin Genisteinhumanplasmagut microbiota metabolite5h-8h0.5-2 µmol/LNot AvailableC15H10O5270.052823422 Publications
6''-O-Acetylgenistin GenisteinhumanNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC15H10O5270.052823422
6''-O-Malonylgenistin GenisteinhumanNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC15H10O5270.052823422
Biochanin A GenisteinhumanNot AvailableNot AvailableNot AvailableNot AvailableNot AvailableC15H10O5270.052823422 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
Genistein GenisteinAgeEffect, clusters Publications
Genistein GenisteinGenotypeEffect, clusters Publications
Genistein GenisteinMicrobiotaEffect, clusters Publications
Genistein GenisteinSexEffect, clusters Publications
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