precursor

Showing entry for Isoorientin

Identification

PhytoHub ID
PHUB000887
Name
Isoorientin
Systematic Name
Not Available
Synonyms
  • Homoorientin
  • Luteolin 6-C-glucoside
CAS Number
Not Available
Average Mass
448.38
Monoisotopic Mass
448.100561464
Chemical Formula
C21H20O11
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-4H-chromen-4-one
InChI Key
ODBRNZZJSYPIDI-VJXVFPJBSA-N
InChI Identifier
InChI=1S/C21H20O11/c22-6-14-17(27)19(29)20(30)21(32-14)16-11(26)5-13-15(18(16)28)10(25)4-12(31-13)7-1-2-8(23)9(24)3-7/h1-5,14,17,19-24,26-30H,6H2/t14-,17-,19+,20-,21+/m1/s1
SMILES
[H][C@]1(CO)O[C@@]([H])(C2=C(O)C3=C(OC(=CC3=O)C3=CC(O)=C(O)C=C3)C=C2O)[C@]([H])(O)[C@@]([H])(O)[C@]1([H])O
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
2.04e+00 g/l
LogS (ALOGPS)
-2.34
LogP (ALOGPS)
0.39
Hydrogen Acceptors
11
Hydrogen Donors
8
Rotatable Bond Count
3
Polar Surface Area
197.36999999999995
Refractivity
108.01309999999997
Polarizability
42.71840921053133
Formal Charge
0
Physiological Charge
-1
pKa (strongest basic)
-2.979192626943843
pKa (strongest acidic)
6.13760442806852
Number of Rings
4
Rule of Five
No
Bioavailability
No
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
Polyphenols
Class
Flavonoids
Sub-class
Flavones

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Flavonoids
Super-class
Phenylpropanoids and polyketides
Sub-class
Flavonoid glycosides
Direct Parent Name
Flavonoid C-glycosides
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "3'-hydroxyflavonoids", "4'-hydroxyflavonoids", "5-hydroxyflavonoids", "7-hydroxyflavonoids", "Benzene and substituted derivatives", "C-glycosyl compounds", "Catechols", "Chromones", "Dialkyl ethers", "Flavones", "Heteroaromatic compounds", "Hexoses", "Hydrocarbon derivatives", "Organic oxides", "Oxacyclic compounds", "Oxanes", "Phenolic glycosides", "Polyols", "Primary alcohols", "Pyranones and derivatives", "Secondary alcohols", "Vinylogous acids"]
External Descriptor Annotations
["Flavones and Flavonols", "flavone C-glycoside", "flavones", "tetrahydroxyflavone"]
Substituent Names
["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "3'-hydroxyflavonoid", "4'-hydroxyflavonoid", "5-hydroxyflavonoid", "7-hydroxyflavonoid", "Alcohol", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "C-glycosyl compound", "Catechol", "Chromone", "Dialkyl ether", "Ether", "Flavone", "Flavonoid c-glycoside", "Glycosyl compound", "Heteroaromatic compound", "Hexose monosaccharide", "Hydrocarbon derivative", "Hydroxyflavonoid", "Monocyclic benzene moiety", "Monosaccharide", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Oxane", "Phenol", "Phenolic glycoside", "Polyol", "Primary alcohol", "Pyran", "Pyranone", "Secondary alcohol", "Vinylogous acid"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
LC-MS/MSLC-ESI-QFTpositivelowView Spectrum(329.066,12.31059233);(353.0662,12.57521931);(383.0867,25.66519249);(395.077,7.467556007);(413.0875,5.731167984);(431.0979,36.25027188)
LC-MS/MSLC-ESI-ITpositivelowView Spectrum(329.0872,11.43806567);(353.1013,9.680381269);(383.0691,19.08530453);(395.1023,6.820864851);(413.0268,9.251891041);(431.0835,43.72349263)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(135.0445,0.01601602);(137.0238,0.06706707);(149.0238,0.02802803);(161.0237,0.02702703);(163.0391,0.01601602);(165.0185,0.11011011);(167.0339,0.01301301);(177.018,0.02802803);(179.0336,0.01701702);(183.0287,0.01101101);(187.039,0.01401401);(191.0334,0.01101101);(195.0289,0.02402402);(203.0337,0.01501502);(215.0334,0.01501502);(243.0285,0.02302302);(245.0442,0.01601602);(253.0493,0.01101101);(255.0646,0.01301301);(259.0597,0.01401401);(269.0442,0.04104104);(270.05,0.01601602);(271.0593,0.01901902);(272.0671,0.02902903);(283.06,0.08808809);(284.0642,0.01901902);(286.0472,0.05005005);(287.0541,0.05705706);(288.0581,0.01001001);(295.0601,0.02502503);(297.0756,0.06806807);(298.0795,0.01201201);(299.055,1.0);(300.0613,0.45445445);(301.066,0.08908909);(302.0691,0.01201201);(309.0764,0.01301301);(311.0552,0.16116116);(312.0587,0.03003003);(313.0705,0.13913914);(314.0741,0.02602603);(321.0758,0.03303303);(323.0555,0.03103103);(324.0622,0.04304304);(325.0706,0.22422422);(326.074,0.04404404);(327.05,0.01701702);(329.0658,0.76276276);(330.0692,0.15515516);(331.0713,0.02502503);(337.071,0.03603604);(339.0862,0.15915916);(340.0899,0.03403403);(341.0657,0.03603604);(343.0813,0.01401401);(349.0707,0.03303303);(353.0656,0.07107107);(354.0694,0.01301301);(365.0658,0.08408408);(366.0696,0.02102102);(367.08,0.01501502);(377.0654,0.02502503);(395.0764,0.02002002)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(133.0294,0.20920921);(163.0395,0.07107107);(175.0395,0.07507508);(191.0345,0.06006006);(193.0138,0.08008008);(268.0373,0.11111111);(269.0454,0.41141141);(270.0496,0.1001001);(284.0324,0.35835836);(285.0404,0.36636637);(286.0431,0.06206206);(297.0406,0.80980981);(298.0478,1.0);(299.0557,0.77677678);(300.0596,0.12112112);(309.0406,0.06406406);(311.056,0.25325325);(324.0286,0.06706707);(327.0511,0.97697698);(328.0545,0.1971972);(339.0511,0.17917918);(340.0546,0.06806807);(357.0613,0.24724725)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(285.0404,0.06506507);(297.0403,0.14314314);(298.0458,0.04504505);(299.0553,0.02702703);(325.0354,0.08908909);(326.0405,0.02102102);(327.051,1.0);(328.0547,0.18518519);(329.0571,0.03103103);(339.0511,0.03503504);(355.0454,0.03003003);(357.0615,0.87487487);(358.0649,0.17417417);(359.0673,0.03003003);(369.0624,0.06606607);(411.0717,0.02202202);(417.0814,0.02402402);(429.083,0.0970971);(430.085,0.02502503);(445.0775,0.04204204);(447.0937,0.1991992);(448.0971,0.04404404)
LC-MS/MSLC-ESI-QTOFNegativelowView Spectrum(445.0768,0.12512513);(446.0813,0.03203203);(447.0928,1.0);(448.0964,0.26326326);(449.0988,0.05505506)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(133.0302,0.01401401);(191.0354,0.01401401);(268.0382,0.01701702);(269.0455,0.08808809);(270.048,0.01901902);(284.0329,0.05705706);(285.0402,0.18118118);(286.0437,0.02802803);(297.0405,0.42642643);(298.0473,0.26026026);(299.0554,0.2042042);(300.0603,0.02802803);(311.0555,0.06306306);(325.0352,0.05705706);(327.0512,1.0);(328.0546,0.21021021);(329.0568,0.03103103);(339.0511,0.14414414);(340.0557,0.02002002);(341.0655,0.02202202);(355.0454,0.01801802);(357.0616,0.57357357);(358.0658,0.11411411);(359.0675,0.02702703);(369.0621,0.05005005);(429.082,0.01801802)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(269.0446,0.01701702);(287.0552,0.03703704);(299.0555,0.68768769);(300.0591,0.13513514);(301.0608,0.01801802);(311.0553,0.04904905);(313.0705,0.01401401);(323.0559,0.02302302);(325.0708,0.03303303);(327.0504,0.03103103);(329.0662,1.0);(330.0697,0.18518519);(331.0719,0.02402402);(339.087,0.10610611);(340.0905,0.02302302);(341.0657,0.01701702);(349.0708,0.01401401);(353.0664,0.3963964);(354.0698,0.08108108);(355.072,0.01401401);(359.0767,0.05805806);(360.0804,0.01101101);(365.0663,0.11811812);(366.0697,0.02602603);(367.0816,0.07607608);(368.0853,0.01601602);(371.0769,0.02302302);(377.0664,0.08008008);(378.0694,0.01801802);(383.0768,0.14814815);(384.0805,0.03503504);(395.0769,0.26426426);(396.0804,0.06006006);(397.0835,0.01001001);(413.0876,0.34534535);(414.0909,0.08308308);(415.0937,0.01401401);(431.0983,0.19319319);(432.1016,0.04004004);(449.1087,0.0980981);(450.1122,0.02302302)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(287.0555,0.01701702);(299.0553,0.18218218);(300.059,0.03303303);(311.0556,0.01801802);(327.05,0.03203203);(329.0661,0.55255255);(330.0696,0.0990991);(331.0717,0.01601602);(353.0662,0.3033033);(354.0696,0.05805806);(359.0766,0.01301301);(365.0664,0.02202202);(367.0811,0.01401401);(377.0661,0.01701702);(383.0767,0.28828829);(384.0804,0.06506507);(385.0826,0.01201201);(395.0768,0.17717718);(396.0803,0.04104104);(413.0875,0.37837838);(414.091,0.07807808);(415.0934,0.01501502);(431.0981,0.52052052);(432.1016,0.11911912);(433.1037,0.02102102);(449.1086,1.0);(450.1123,0.22922923);(451.1145,0.04304304)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(329.0658,0.02102102);(383.0763,0.01001001);(413.0866,0.01101101);(431.0975,0.05405405);(432.1008,0.01201201);(447.0926,0.02502503);(449.1084,1.0);(450.1118,0.23423423);(451.114,0.04604605)
LC-MS/MSLC-ESI-QTOFNegativemediumView Spectrum(325.0347,0.02702703);(327.0509,0.29029029);(328.0549,0.05605606);(357.0615,0.18818819);(358.0641,0.03603604);(429.0826,0.06706707);(430.0867,0.01401401);(445.0777,0.15415415);(446.0815,0.05105105);(447.0933,1.0);(448.0969,0.24424424);(449.0982,0.05805806)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(137.0237,0.01301301);(243.0292,0.02002002);(269.0445,0.03003003);(283.0605,0.02002002);(286.0476,0.01601602);(287.0551,0.05205205);(297.0757,0.02302302);(299.0555,0.85485485);(300.0601,0.2042042);(301.0632,0.03203203);(311.0555,0.08608609);(312.0596,0.01601602);(313.071,0.06306306);(314.0747,0.01201201);(321.0764,0.01101101);(323.0553,0.02702703);(324.0619,0.02002002);(325.0711,0.14814815);(326.0746,0.02602603);(327.0508,0.02602603);(329.0663,1.0);(330.0698,0.19119119);(331.0721,0.02902903);(337.0712,0.01601602);(339.087,0.20520521);(340.0907,0.04104104);(341.0666,0.03603604);(343.0813,0.01301301);(349.0713,0.03303303);(353.0663,0.2032032);(354.0697,0.04404404);(359.0771,0.04304304);(365.0663,0.14114114);(366.07,0.03303303);(367.0811,0.04504505);(368.0853,0.01001001);(371.0767,0.01301301);(377.0664,0.06406406);(378.07,0.01701702);(383.077,0.03503504);(395.0769,0.0990991);(396.081,0.02102102);(413.0876,0.08008008);(414.0914,0.01601602);(431.0978,0.01601602)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(328.06488,0.00600601);(329.06961,0.03603604);(330.06876,0.02602603);(331.07565,0.00500501);(332.08237,0.00900901);(353.06247,0.05005005);(354.073,0.03503504);(355.07614,0.00700701);(382.07083,0.01101101);(383.04843,0.00800801);(383.07983,0.06406406);(384.07474,0.02002002);(384.08984,0.00900901);(385.07431,0.00700701);(395.07437,0.01501502);(396.06998,0.00600601);(397.0943,0.00600601);(412.08279,0.00900901);(413.08084,0.05105105);(414.08963,0.01201201);(431.06271,0.01101101);(431.09753,0.15215215);(432.10004,0.04604605);(432.11731,0.01801802);(433.10123,0.02302302);(433.11792,0.00600601);(434.12216,0.00500501);(441.94949,0.00600601);(447.09286,0.00800801);(448.06891,0.00900901);(448.09137,0.03203203);(448.1102,0.01901902);(448.129,0.00900901);(448.15692,0.00600601);(449.05399,0.00500501);(449.10898,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(110.03037,0.00700701);(135.04549,0.00500501);(137.01801,0.01201201);(137.02991,0.00500501);(151.03552,0.00600601);(161.02745,0.01801802);(162.99998,0.00500501);(163.03539,0.00500501);(163.04422,0.00600601);(164.99449,0.00600601);(165.01627,0.02702703);(166.02893,0.01001001);(186.02779,0.00700701);(189.01067,0.00700701);(195.02992,0.00700701);(201.01352,0.00500501);(203.03204,0.00900901);(205.05339,0.01301301);(208.48108,0.00900901);(215.03281,0.02002002);(237.08511,0.00500501);(243.02917,0.02002002);(246.04428,0.00600601);(247.01077,0.00500501);(253.08348,0.00600601);(255.04472,0.00700701);(255.07198,0.01101101);(258.0575,0.00700701);(267.61313,0.00500501);(270.0592,0.00600601);(272.07019,0.00600601);(282.04617,0.00800801);(282.98517,0.00600601);(283.05075,0.03103103);(283.06595,0.03103103);(284.06357,0.01301301);(284.08047,0.01201201);(287.03796,0.00700701);(287.05392,0.03103103);(287.06277,0.01001001);(288.0593,0.01001001);(296.07047,0.01601602);(297.07367,0.05505506);(298.07095,0.00600601);(299.0015,0.01001001);(299.01892,0.02602603);(299.0567,0.86286286);(300.06039,0.23923924);(301.06287,0.02202202);(309.0701,0.00900901);(311.03494,0.02202202);(311.05734,0.06006006);(311.09265,0.02302302);(312.06238,0.01701702);(312.99652,0.00500501);(313.01797,0.00500501);(313.03989,0.01201201);(313.06894,0.02002002);(315.03812,0.00600601);(322.06451,0.00600601);(322.07959,0.01101101);(323.05002,0.00900901);(323.06943,0.00700701);(323.67252,0.00700701);(324.02774,0.00600601);(324.05621,0.01501502);(324.0679,0.01501502);(325.02856,0.02802803);(325.07263,0.18318318);(326.0611,0.01501502);(326.07523,0.05705706);(327.05191,0.00800801);(327.07895,0.00600601);(329.02628,0.00800801);(329.065,0.64364364);(330.00629,0.00600601);(330.04443,0.01301301);(330.07053,0.1021021);(332.05545,0.00700701);(337.06122,0.01701702);(337.08719,0.01001001);(339.043,0.00700701);(339.06992,0.01801802);(339.09006,0.13813814);(339.48633,0.00800801);(340.08151,0.01501502);(340.09366,0.02702703);(341.09015,0.00800801);(349.07977,0.02302302);(350.07956,0.01001001);(351.03287,0.00600601);(353.00305,0.00600601);(353.03433,0.01401401);(353.06458,0.33233233);(353.1004,0.00600601);(354.06793,0.07607608);(358.55453,0.00500501);(365.05783,0.05105105);(365.06943,0.10910911);(366.06607,0.01001001);(366.08307,0.01301301);(367.07788,0.01001001);(377.02609,0.00800801);(377.06531,0.1031031);(377.09158,0.01301301);(378.06161,0.03903904);(378.08817,0.00800801);(379.07043,0.00700701);(383.07574,0.18818819);(384.06512,0.01901902);(384.07724,0.02302302);(386.08994,0.00600601);(395.03235,0.00700701);(395.06073,0.06506507);(395.08115,0.11811812);(396.07159,0.01801802);(396.08862,0.04404404);(411.04834,0.00500501);(412.5737,0.00600601);(413.01929,0.00600601);(413.08597,0.2022022);(414.06564,0.01101101);(414.08304,0.02202202);(414.09561,0.01801802);(431.06149,0.00500501);(431.09506,0.17917918);(431.10873,0.06806807);(431.56097,0.00600601);(432.09747,0.04204204);(432.11169,0.02502503);(433.09207,0.02002002);(437.64163,0.00700701);(447.09973,0.00500501);(448.10663,0.00500501);(448.95239,0.00600601);(449.05469,0.02202202);(449.10736,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(62.59048,0.00600601);(85.03008,0.01301301);(109.0257,0.01401401);(115.24366,0.00600601);(119.04996,0.00800801);(134.03607,0.02102102);(148.05368,0.00700701);(165.02304,0.01101101);(169.03012,0.00600601);(170.03056,0.01301301);(175.1163,0.00800801);(178.03221,0.01401401);(193.66725,0.00700701);(207.35887,0.00600601);(208.44969,0.00600601);(213.02576,0.00600601);(215.87354,0.01101101);(216.07039,0.01101101);(221.05255,0.00700701);(240.07291,0.00800801);(243.62433,0.00800801);(245.0379,0.00700701);(245.08044,0.00700701);(246.05791,0.01601602);(253.04434,0.00700701);(261.05508,0.01201201);(263.56647,0.00700701);(269.03473,0.01201201);(269.04526,0.00800801);(270.05469,0.02002002);(271.05942,0.00800801);(276.22903,0.01001001);(279.04703,0.00900901);(283.05167,0.02602603);(283.06958,0.01401401);(284.06842,0.00700701);(284.08673,0.01301301);(286.04025,0.01301301);(287.04401,0.04604605);(287.06918,0.03403403);(288.06158,0.05305305);(289.03702,0.00800801);(289.06598,0.00600601);(290.06879,0.01301301);(295.05814,0.00800801);(296.08337,0.00800801);(296.13306,0.00900901);(297.08072,0.02802803);(298.03763,0.00900901);(298.07834,0.02302302);(298.09418,0.01001001);(298.9884,0.00600601);(299.0239,0.01401401);(299.05539,1.0);(300.05774,0.43143143);(300.55344,0.00600601);(301.06183,0.01701702);(301.0722,0.03803804);(302.05313,0.00600601);(305.06894,0.00900901);(305.22281,0.00800801);(308.50507,0.01201201);(309.85181,0.00900901);(310.02145,0.00600601);(310.06818,0.00900901);(311.04123,0.04704705);(311.05652,0.06706707);(311.07578,0.02102102);(311.09634,0.02802803);(311.79022,0.00600601);(312.05542,0.02802803);(312.07092,0.00800801);(312.10001,0.02302302);(313.06796,0.01801802);(313.08459,0.00700701);(314.02438,0.00800801);(314.07288,0.01101101);(315.03854,0.01001001);(315.07877,0.00700701);(320.5412,0.00800801);(321.0759,0.01601602);(322.05557,0.00800801);(322.07913,0.00800801);(322.10196,0.00600601);(323.04623,0.00700701);(323.0683,0.00800801);(324.04013,0.01101101);(324.06555,0.02502503);(324.07364,0.01101101);(324.57904,0.00600601);(325.04056,0.04104104);(325.06726,0.19319319);(325.07846,0.09209209);(326.02997,0.01001001);(326.05856,0.02802803);(326.07703,0.11811812);(326.08948,0.03603604);(327.04657,0.01301301);(327.06216,0.01301301);(327.07477,0.00600601);(328.06769,0.00700701);(329.02463,0.00700701);(329.06607,0.42642643);(330.0343,0.00700701);(330.06732,0.37737738);(330.08829,0.02802803);(331.07422,0.04304304);(331.08853,0.03103103);(336.04596,0.00800801);(336.07281,0.01401401);(338.07312,0.01701702);(338.09338,0.01601602);(339.04678,0.01701702);(339.07266,0.08808809);(339.08597,0.16416416);(340.04974,0.01301301);(340.08575,0.04204204);(340.10294,0.04104104);(341.0806,0.01201201);(342.08624,0.01901902);(347.043,0.00700701);(348.04434,0.01201201);(348.38623,0.00600601);(349.05676,0.01701702);(349.0694,0.04604605);(350.07101,0.01601602);(350.08151,0.02302302);(352.03928,0.01501502);(352.10287,0.01001001);(352.67709,0.00700701);(353.0347,0.00600601);(353.06589,0.15515516);(354.07025,0.16516517);(354.08423,0.04204204);(355.0632,0.00900901);(355.07867,0.05205205);(364.64743,0.00800801);(365.05603,0.03903904);(365.07224,0.10510511);(366.06461,0.03103103);(366.08026,0.00800801);(367.0542,0.00900901);(367.06821,0.03003003);(367.09274,0.05205205);(368.08615,0.02402402);(368.11142,0.00700701);(368.77423,0.00600601);(377.0657,0.13713714);(378.02222,0.00800801);(378.05911,0.00700701);(378.07925,0.01401401);(383.02798,0.00700701);(384.08353,0.01401401);(395.0748,0.05705706);(395.08856,0.01601602);(396.07169,0.01201201);(396.09052,0.03803804);(398.10498,0.00600601);(413.07205,0.00700701);(414.08401,0.01401401);(431.09662,0.00600601)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(165.0206,0.29229229);(299.0578,1.0);(325.0733,0.21321321);(329.0685,0.65165165);(339.0889,0.16416416);(353.0686,0.35035035);(383.0782,0.19319319);(395.0799,0.18218218);(413.0903,0.16516517);(431.1002,0.1951952);(449.1084,0.40740741)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.03757,0.00900901);(109.02501,0.00500501);(133.02771,0.00800801);(137.02725,0.01301301);(137.03212,0.00700701);(162.02888,0.00500501);(163.04413,0.00500501);(165.01904,0.03403403);(166.01939,0.00900901);(175.03568,0.00600601);(177.02275,0.01201201);(187.04057,0.01301301);(188.04651,0.00600601);(192.05984,0.00500501);(203.02873,0.00700701);(212.04346,0.00900901);(214.55327,0.00800801);(215.0361,0.01601602);(229.0139,0.00900901);(229.03554,0.00600601);(243.03008,0.01801802);(243.89632,0.00500501);(244.03615,0.00800801);(245.0372,0.01101101);(245.05261,0.00700701);(245.08479,0.00500501);(247.02039,0.00700701);(250.04643,0.00500501);(255.07283,0.00700701);(262.33551,0.00500501);(265.06512,0.01201201);(266.259,0.00500501);(267.06812,0.00500501);(269.04385,0.02202202);(270.06015,0.01101101);(270.08755,0.00800801);(271.06384,0.00700701);(273.0296,0.00800801);(281.04663,0.01101101);(282.78168,0.00600601);(283.03958,0.00600601);(283.05795,0.06606607);(285.05276,0.00500501);(285.07077,0.00700701);(286.01157,0.00600601);(286.04398,0.02002002);(286.05328,0.01401401);(287.00201,0.00600601);(287.03696,0.00500501);(287.05399,0.02902903);(287.06812,0.00900901);(288.05939,0.02102102);(295.08322,0.01201201);(297.06845,0.01801802);(297.07956,0.03603604);(298.07791,0.01101101);(298.99796,0.00900901);(299.05338,0.95795796);(300.06216,0.16416416);(301.05472,0.01301301);(301.06506,0.01001001);(301.08084,0.00700701);(302.0466,0.00500501);(302.07318,0.00500501);(302.34555,0.00600601);(303.07086,0.01401401);(309.07681,0.00600601);(311.04877,0.05605606);(311.07104,0.02402402);(311.09439,0.01601602);(312.04803,0.00900901);(313.05255,0.01401401);(313.0654,0.00800801);(314.08319,0.00700701);(321.05957,0.01001001);(321.08438,0.02402402);(323.07532,0.00700701);(324.0513,0.01501502);(324.06717,0.01601602);(325.03229,0.01101101);(325.0433,0.01501502);(325.07281,0.21221221);(326.05276,0.01201201);(326.07806,0.02502503);(327.05768,0.01201201);(327.07797,0.00900901);(329.01801,0.00900901);(329.06552,0.5955956);(330.0582,0.07307307);(330.07462,0.05705706);(331.06689,0.01101101);(331.08813,0.00500501);(337.07474,0.01301301);(339.04858,0.00900901);(339.07492,0.06006006);(339.08798,0.0990991);(339.10336,0.02202202);(340.03464,0.00600601);(340.06601,0.00500501);(340.08685,0.02902903);(340.10837,0.01001001);(341.06281,0.00500501);(341.07941,0.00700701);(341.09769,0.00800801);(347.00497,0.00500501);(347.04559,0.00500501);(349.06921,0.02302302);(350.01962,0.00800801);(350.07413,0.02302302);(350.08786,0.00900901);(352.96432,0.00700701);(353.06766,0.39239239);(354.06943,0.06506507);(355.08435,0.00500501);(360.16187,0.00600601);(365.0307,0.01201201);(365.06177,0.08908909);(365.07846,0.02802803);(366.07663,0.05305305);(367.06339,0.01701702);(367.07938,0.01201201);(369.08371,0.00700701);(369.09979,0.00800801);(377.05096,0.04304304);(377.06693,0.03703704);(377.08353,0.00900901);(378.00815,0.00600601);(378.04031,0.00600601);(378.05887,0.01601602);(378.07263,0.02902903);(383.07916,0.20720721);(384.06003,0.00900901);(384.07883,0.03203203);(385.08539,0.00600601);(394.00766,0.00500501);(394.08905,0.00500501);(395.06772,0.0950951);(395.08243,0.1011011);(396.04514,0.00500501);(396.08517,0.01901902);(396.16324,0.00600601);(396.94812,0.01001001);(397.08206,0.02102102);(411.08493,0.00600601);(413.05399,0.01501502);(413.08521,0.16716717);(414.0907,0.02302302);(415.09482,0.01401401);(420.33234,0.00500501);(430.08917,0.00800801);(430.47522,0.00500501);(431.05893,0.00900901);(431.1011,0.28528529);(432.07513,0.01901902);(432.09515,0.05305305);(447.11133,0.00500501);(448.09601,0.00600601);(449.05463,0.00600601);(449.10727,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.03952,0.00800801);(299.05283,0.00800801);(300.07214,0.00700701);(305.71548,0.00700701);(328.05371,0.00800801);(329.05493,0.01001001);(329.06879,0.02802803);(329.08148,0.01101101);(330.06647,0.02802803);(330.08167,0.00500501);(331.069,0.00600601);(353.04626,0.01001001);(353.06546,0.01901902);(354.07211,0.01301301);(375.5332,0.00500501);(383.06433,0.02502503);(383.08578,0.03803804);(384.08127,0.03303303);(384.10257,0.00500501);(395.07834,0.01601602);(396.07986,0.00500501);(411.07913,0.00600601);(413.07864,0.01301301);(413.09708,0.00800801);(414.07486,0.01401401);(414.09131,0.01001001);(431.09824,0.11611612);(432.10358,0.05905906);(433.09219,0.01901902);(434.10776,0.00600601);(447.09955,0.00900901);(448.09924,0.03403403);(449.10748,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.02828,0.02102102);(103.04042,0.00900901);(109.03047,0.04704705);(110.03471,0.00700701);(133.02975,0.00900901);(137.02357,0.00800801);(138.02446,0.01601602);(138.03032,0.01401401);(149.02689,0.01301301);(153.01265,0.01201201);(161.01248,0.00900901);(179.03624,0.00600601);(180.03461,0.00800801);(187.26593,0.01201201);(195.06015,0.00700701);(205.05823,0.02402402);(215.04224,0.01601602);(216.01981,0.01401401);(220.81299,0.01001001);(224.16783,0.00800801);(230.04382,0.01201201);(234.94781,0.00900901);(244.04048,0.00800801);(247.03209,0.01001001);(256.07394,0.04304304);(258.05173,0.01101101);(267.07275,0.00900901);(269.02634,0.00600601);(270.0441,0.02302302);(270.05624,0.02502503);(271.0672,0.01101101);(271.74487,0.01501502);(272.02945,0.01101101);(273.91147,0.00600601);(277.22662,0.00800801);(277.54028,0.00600601);(281.09299,0.01201201);(282.06473,0.01001001);(283.05371,0.02102102);(283.06961,0.02202202);(284.06097,0.00800801);(284.06946,0.01101101);(286.04071,0.01601602);(286.05188,0.00800801);(286.98346,0.00700701);(287.03839,0.01601602);(287.05722,0.04204204);(287.07278,0.01601602);(288.05579,0.00900901);(288.07327,0.01501502);(295.04666,0.00700701);(296.9834,0.00600601);(297.0538,0.01001001);(297.07077,0.03703704);(297.08224,0.01601602);(298.02164,0.00700701);(298.03503,0.02402402);(298.07736,0.02802803);(298.08871,0.02402402);(298.10617,0.01301301);(299.02597,0.02102102);(299.05469,1.0);(299.38235,0.00900901);(299.88156,0.00700701);(299.91742,0.00700701);(300.02322,0.02502503);(300.06223,0.74274274);(301.06488,0.09409409);(301.0842,0.00600601);(301.60666,0.00700701);(302.064,0.00900901);(306.24017,0.00600601);(307.07156,0.01301301);(307.20053,0.01101101);(309.37534,0.00700701);(310.0766,0.01001001);(311.03931,0.00700701);(311.05945,0.03603604);(311.07562,0.01901902);(311.09015,0.03203203);(312.05692,0.03603604);(313.04922,0.00700701);(313.07224,0.02402402);(313.09219,0.00700701);(314.04568,0.01001001);(314.07089,0.02602603);(314.08868,0.01101101);(316.06204,0.00700701);(321.07382,0.02102102);(321.08545,0.02802803);(322.103,0.01001001);(323.04633,0.01001001);(324.06998,0.03603604);(325.02435,0.00800801);(325.03824,0.01801802);(325.07034,0.25225225);(326.06961,0.05805806);(326.08218,0.10710711);(326.09647,0.03403403);(326.26257,0.00800801);(327.05035,0.00900901);(327.06683,0.00700701);(327.08569,0.03003003);(328.03909,0.01001001);(328.05405,0.00700701);(329.0358,0.02702703);(329.06671,0.67167167);(329.14279,0.01201201);(330.03348,0.00700701);(330.0625,0.12812813);(330.07495,0.39439439);(331.04959,0.00900901);(331.07303,0.03803804);(331.08694,0.03103103);(331.10004,0.00800801);(332.06757,0.01001001);(332.07889,0.00900901);(336.05972,0.02202202);(336.07404,0.01001001);(337.07001,0.00700701);(338.08408,0.02302302);(338.10205,0.01001001);(339.05542,0.00900901);(339.08109,0.14314314);(339.09534,0.07107107);(340.08948,0.14314314);(340.33752,0.00700701);(341.06686,0.00900901);(341.0838,0.01601602);(341.09714,0.01201201);(341.54724,0.01301301);(341.82291,0.00600601);(342.11237,0.00700701);(346.28827,0.00700701);(347.06766,0.00600601);(348.04526,0.00900901);(349.05667,0.02202202);(349.07053,0.02402402);(349.09119,0.01201201);(350.07605,0.01501502);(350.09561,0.01201201);(351.08813,0.01801802);(352.09546,0.01001001);(353.04276,0.01501502);(353.06375,0.12512513);(353.08023,0.06306306);(353.93616,0.00900901);(354.07089,0.07007007);(354.08276,0.1021021);(355.05258,0.00900901);(355.06207,0.02902903);(355.08347,0.02902903);(356.03519,0.00900901);(356.06866,0.02102102);(365.04819,0.03103103);(365.06952,0.18718719);(366.03232,0.02802803);(366.05865,0.04804805);(366.0762,0.04304304);(367.07837,0.05005005);(368.09317,0.02002002);(371.0658,0.02102102);(377.06537,0.0950951);(377.07828,0.03303303);(378.08044,0.04404404);(379.47626,0.00700701);(380.07477,0.00700701);(395.06876,0.06206206);(396.07513,0.02002002);(396.08673,0.01701702);(396.97202,0.00700701);(397.29584,0.00900901);(413.052,0.01401401);(414.0809,0.01501502);(414.11096,0.01001001);(415.09741,0.01601602)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(103.03915,0.00500501);(109.02543,0.00900901);(137.02608,0.00600601);(163.04265,0.00800801);(178.02478,0.00700701);(203.03281,0.00800801);(230.04555,0.00600601);(243.03046,0.01001001);(243.03868,0.00700701);(257.05783,0.00600601);(283.06274,0.03803804);(284.05722,0.01001001);(286.03751,0.00700701);(286.04953,0.02202202);(287.0564,0.04604605);(288.06036,0.01101101);(297.0752,0.04304304);(298.08957,0.01301301);(298.5499,0.00600601);(298.98788,0.01001001);(299.01407,0.01701702);(299.05597,1.0);(300.02737,0.01701702);(300.05087,0.07907908);(300.06458,0.08408408);(300.0882,0.00700701);(301.02356,0.00500501);(301.06763,0.01701702);(308.55997,0.00600601);(309.08517,0.00800801);(311.05457,0.06906907);(311.08823,0.00700701);(311.10339,0.01001001);(312.09351,0.00700701);(313.05872,0.01001001);(313.07431,0.01101101);(313.0874,0.00500501);(315.0824,0.00700701);(322.0744,0.00900901);(323.06042,0.00600601);(324.0528,0.01501502);(324.06287,0.00700701);(325.0332,0.03503504);(325.07098,0.27027027);(326.05231,0.00700701);(326.08136,0.03703704);(327.05206,0.00600601);(328.95688,0.00600601);(329.03156,0.01801802);(329.06522,0.53653654);(329.93759,0.00500501);(330.06525,0.06006006);(330.08231,0.04004004);(331.05615,0.01001001);(331.07117,0.00600601);(337.05167,0.00600601);(337.08112,0.01901902);(339.052,0.01701702);(339.08588,0.24024024);(340.06696,0.01401401);(340.09198,0.01201201);(341.08893,0.00700701);(342.08624,0.00600601);(347.05371,0.01501502);(349.04337,0.00900901);(349.06497,0.03003003);(350.07214,0.00600601);(351.04532,0.00500501);(352.07648,0.00900901);(353.04843,0.03803804);(353.06778,0.22722723);(354.07196,0.04604605);(365.00455,0.00600601);(365.05817,0.05705706);(365.07648,0.04904905);(366.0481,0.00900901);(366.06924,0.03903904);(366.08795,0.01501502);(367.06097,0.01301301);(367.08234,0.03703704);(368.09656,0.00900901);(377.00699,0.00600601);(377.02524,0.00700701);(377.06445,0.07507508);(377.08609,0.02202202);(378.05325,0.00900901);(378.0719,0.01601602);(378.08221,0.00600601);(379.0614,0.00600601);(379.08414,0.00700701);(383.06778,0.01501502);(395.07129,0.03303303);(395.08945,0.02102102);(396.06973,0.02002002);(396.08157,0.01001001);(413.07718,0.02102102);(415.08777,0.00500501)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(68.99844,0.05805806);(81.03423,0.06706707);(84.05708,0.02202202);(92.02114,0.02902903);(95.05019,0.03103103);(96.05636,0.02502503);(97.02778,0.01901902);(103.03561,0.01901902);(103.0563,0.02502503);(106.04324,0.02002002);(107.05113,0.04104104);(108.05382,0.02802803);(109.02727,0.02202202);(111.00181,0.02602603);(115.05492,0.04004004);(121.06097,0.01901902);(123.00853,0.04104104);(123.01631,0.02302302);(124.01017,0.03603604);(124.01603,0.03603604);(125.02219,0.01701702);(131.04817,0.06806807);(133.02473,0.01701702);(135.02936,0.02802803);(135.04382,0.27627628);(136.04132,0.02202202);(136.04765,0.02402402);(137.01448,0.05205205);(137.02612,0.24324324);(139.59952,0.02102102);(141.09036,0.02402402);(143.39844,0.02802803);(145.02902,0.02802803);(147.04301,0.07807808);(149.00755,0.01601602);(149.02237,0.23323323);(149.04756,0.02102102);(150.02173,0.02702703);(150.03255,0.07407407);(150.06728,0.01901902);(151.03665,0.05305305);(153.0224,0.05005005);(153.0674,0.03003003);(154.02232,0.04204204);(154.02872,0.01901902);(157.06071,0.01701702);(159.03694,0.04104104);(159.04721,0.07107107);(161.01962,0.09009009);(161.02928,0.02302302);(162.0298,0.08108108);(163.03607,0.13213213);(163.04831,0.01901902);(164.04843,0.02202202);(164.05821,0.03203203);(164.15604,0.01601602);(164.95923,0.01601602);(164.98521,0.04304304);(165.00114,0.02102102);(165.01874,1.0);(165.05894,0.02502503);(166.0248,0.47847848);(166.07103,0.02402402);(167.0349,0.02802803);(170.06476,0.01901902);(173.02449,0.02702703);(173.06131,0.02802803);(174.03595,0.02102102);(176.00653,0.01901902);(176.02754,0.03603604);(177.01266,0.04404404);(177.02216,0.02502503);(178.02591,0.03503504);(179.02969,0.02802803);(179.0405,0.04504505);(185.05606,0.03503504);(187.03575,0.05705706);(187.04156,0.08308308);(189.00897,0.01901902);(189.02049,0.02302302);(190.02751,0.04704705);(190.21503,0.01901902);(191.02765,0.04104104);(191.03844,0.05205205);(192.0031,0.04004004);(192.08797,0.01801802);(194.03949,0.03303303);(195.07153,0.01801802);(197.03009,0.02502503);(202.02576,0.02102102);(203.03491,0.07407407);(204.03996,0.02902903);(204.05685,0.03203203);(205.04883,0.03103103);(205.49553,0.01801802);(208.03745,0.04804805);(214.68178,0.03803804);(216.0368,0.04104104);(225.01898,0.02802803);(227.02371,0.02302302);(230.99953,0.01901902);(231.02899,0.02502503);(231.05638,0.02202202);(239.0305,0.02202202);(243.06915,0.03803804);(244.03683,0.02302302);(245.03496,0.02802803);(247.07974,0.01901902);(254.05273,0.03203203);(255.06671,0.04604605);(256.07278,0.12612613);(257.06186,0.02202202);(258.04089,0.02602603);(259.07382,0.02602603);(261.05597,0.02402402);(262.03796,0.02402402);(263.03403,0.02902903);(265.05725,0.04804805);(266.38892,0.02602603);(269.04214,0.02402402);(269.07568,0.02602603);(269.08902,0.02602603);(270.05081,0.03403403);(270.06042,0.01901902);(271.05795,0.14214214);(272.0701,0.08808809);(273.04367,0.02402402);(273.06683,0.01701702);(273.08182,0.07807808);(275.06406,0.08008008);(282.04922,0.02502503);(283.05914,0.0950951);(283.0787,0.01801802);(284.06024,0.12812813);(284.07803,0.01801802);(284.08829,0.02302302);(285.03326,0.06406406);(286.04813,0.07607608);(286.05768,0.03703704);(287.05231,0.03903904);(288.05777,0.02002002);(288.06442,0.04504505);(289.07443,0.03603604);(293.07776,0.02502503);(294.08847,0.01901902);(295.06583,0.04004004);(295.0773,0.01601602);(296.05237,0.01701702);(296.07977,0.03103103);(297.04425,0.03603604);(297.08218,0.17617618);(298.03448,0.01701702);(298.04794,0.01901902);(298.06674,0.02402402);(298.0791,0.02802803);(298.08987,0.03203203);(299.0322,0.02302302);(299.05688,0.37637638);(300.02905,0.01801802);(300.0416,0.07907908);(300.06052,0.51851852);(300.07925,0.14814815);(301.05151,0.03703704);(301.07535,0.05105105);(301.59213,0.02502503);(301.81912,0.01701702);(303.07437,0.01601602);(308.06064,0.03303303);(309.05579,0.02202202);(309.08109,0.03503504);(311.0564,0.07607608);(311.0899,0.07307307);(312.05029,0.02702703);(313.0675,0.05705706);(313.09793,0.02002002);(321.05316,0.02402402);(321.09402,0.02302302);(324.06705,0.06106106);(325.04849,0.02502503);(325.06848,0.0970971);(326.07669,0.01701702);(329.06839,0.02002002);(330.06454,0.02702703);(337.05069,0.01701702);(338.09375,0.04204204);(339.06653,0.03703704);(339.08011,0.11911912);(339.10428,0.02802803);(340.07526,0.02202202);(340.11301,0.03803804);(347.04813,0.02802803);(347.11447,0.02402402);(351.05972,0.03703704);(367.08972,0.02702703)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(65.01975,0.01101101);(68.98123,0.00900901);(75.958,0.00700701);(76.02397,0.01001001);(77.021,0.00700701);(77.04248,0.01101101);(79.05415,0.00900901);(81.02969,0.00800801);(81.0351,0.02902903);(85.02932,0.01101101);(89.03329,0.00900901);(89.04446,0.00700701);(91.0559,0.04404404);(92.0567,0.01201201);(95.05019,0.04104104);(103.0531,0.02202202);(107.05005,0.02302302);(108.05398,0.01601602);(109.02795,0.0970971);(111.01511,0.01901902);(115.02058,0.01101101);(115.0517,0.01001001);(117.11211,0.01101101);(119.05553,0.00800801);(121.01647,0.01301301);(121.03057,0.05305305);(121.03709,0.01701702);(121.05637,0.01001001);(122.02759,0.01001001);(123.0066,0.05505506);(123.01752,0.01401401);(123.80408,0.00900901);(124.0092,0.00800801);(124.02203,0.01101101);(125.98326,0.00700701);(128.0631,0.00900901);(131.04739,0.01901902);(133.02242,0.00900901);(133.03128,0.02102102);(134.03389,0.00900901);(134.04366,0.03703704);(135.00305,0.01501502);(135.02583,0.01301301);(135.04317,0.14614615);(136.04559,0.04404404);(137.0101,0.01401401);(137.02415,0.21221221);(139.03851,0.01101101);(141.07458,0.00800801);(145.02435,0.01501502);(147.04379,0.01001001);(149.0197,0.15615616);(149.02731,0.06806807);(150.03168,0.02302302);(150.0372,0.00700701);(153.00983,0.00900901);(153.07263,0.00900901);(154.65126,0.00800801);(156.09439,0.00700701);(157.06119,0.01401401);(158.0331,0.00800801);(159.03337,0.01501502);(159.03917,0.03703704);(159.86935,0.00800801);(161.01079,0.00700701);(161.02106,0.03103103);(161.02621,0.07907908);(162.02538,0.01301301);(162.98759,0.00800801);(163.03607,0.13413413);(164.03821,0.00900901);(164.04486,0.00700701);(164.82396,0.01301301);(164.95273,0.01801802);(165.01822,1.0);(166.01004,0.04604605);(166.02567,0.02502503);(166.18222,0.00700701);(167.02391,0.01201201);(168.02673,0.00800801);(169.02745,0.01601602);(169.06778,0.00900901);(170.30667,0.00700701);(171.04384,0.01201201);(171.81253,0.00800801);(172.14964,0.00700701);(175.03711,0.02702703);(176.01096,0.02302302);(176.04483,0.01101101);(177.0175,0.04004004);(177.0536,0.01601602);(178.02267,0.02602603);(178.07811,0.01201201);(178.99594,0.01901902);(179.01137,0.01301301);(179.03308,0.03003003);(179.04115,0.01601602);(180.02991,0.02902903);(181.06537,0.01101101);(182.1983,0.00700701);(187.03685,0.05005005);(188.9774,0.00800801);(189.01244,0.02402402);(189.02293,0.02302302);(190.02533,0.02602603);(190.98305,0.02402402);(191.00797,0.00800801);(191.02853,0.02802803);(191.04259,0.01601602);(191.09297,0.01101101);(192.00911,0.01001001);(195.0273,0.01901902);(195.08279,0.01101101);(201.05479,0.01401401);(202.01793,0.01401401);(203.03616,0.04204204);(205.00919,0.00800801);(205.04623,0.02702703);(207.07973,0.01101101);(209.02101,0.00900901);(212.04739,0.01101101);(213.08533,0.01301301);(215.03145,0.04004004);(216.03372,0.00800801);(216.05054,0.00900901);(217.00923,0.01201201);(219.07579,0.00700701);(222.07855,0.01101101);(225.50081,0.01201201);(226.06331,0.00800801);(226.9868,0.01301301);(227.05444,0.01701702);(229.01729,0.00900901);(229.05222,0.00700701);(231.06787,0.00800801);(233.0661,0.00900901);(234.06558,0.02002002);(239.42371,0.00700701);(240.07077,0.00900901);(241.04036,0.01901902);(241.43468,0.00800801);(243.03337,0.03203203);(243.05852,0.00900901);(243.06839,0.00900901);(244.01997,0.00900901);(244.0601,0.01401401);(244.08302,0.01401401);(245.02368,0.01301301);(245.04649,0.05405405);(247.01772,0.01601602);(247.06906,0.00900901);(251.0752,0.02202202);(254.0612,0.04004004);(254.96292,0.01901902);(255.06294,0.03503504);(256.35028,0.01501502);(258.05267,0.05205205);(258.08209,0.01101101);(259.06003,0.00700701);(259.49884,0.00900901);(263.07703,0.01701702);(264.92557,0.00900901);(265.07898,0.01101101);(265.53461,0.02202202);(268.03137,0.01401401);(268.06375,0.01001001);(268.08017,0.01001001);(269.0278,0.01001001);(269.048,0.00900901);(270.01562,0.00900901);(270.04581,0.01201201);(270.06171,0.03103103);(271.0567,0.01601602);(272.06122,0.01401401);(272.07233,0.01901902);(273.08096,0.02302302);(282.04352,0.00700701);(283.05374,0.11411411);(283.06592,0.05305305);(283.9946,0.00700701);(284.05692,0.02502503);(285.03281,0.02202202);(285.04715,0.02602603);(286.03738,0.03903904);(286.0524,0.06106106);(287.05121,0.05105105);(287.06552,0.01201201);(291.06113,0.00700701);(293.0484,0.00700701);(295.03598,0.02802803);(295.06805,0.06406406);(296.05566,0.01901902);(296.07556,0.01101101);(297.04605,0.01301301);(297.07434,0.1041041);(297.09827,0.01001001);(297.1185,0.00800801);(298.06705,0.01901902);(299.01294,0.01801802);(299.03235,0.06106106);(299.05356,0.4004004);(299.07266,0.08308308);(300.0444,0.04204204);(300.06482,0.14714715);(300.08167,0.01001001);(301.04834,0.00900901);(301.06381,0.02702703);(301.73538,0.00800801);(302.06989,0.00700701);(302.13074,0.01101101);(309.08044,0.00800801);(310.05286,0.01901902);(310.0751,0.00700701);(310.84604,0.00800801);(311.04422,0.02102102);(311.05914,0.07407407);(311.10226,0.00900901);(311.69595,0.00800801);(312.06238,0.03403403);(312.0878,0.00900901);(313.02905,0.01201201);(313.04398,0.02602603);(313.08093,0.03503504);(316.03934,0.01001001);(320.07059,0.02402402);(322.08575,0.02002002);(323.03452,0.00800801);(323.05054,0.01001001);(324.05927,0.02802803);(324.07953,0.00800801);(325.01553,0.00900901);(325.07281,0.1011011);(325.09109,0.02902903);(325.10431,0.00700701);(326.07047,0.00700701);(326.08533,0.04004004);(326.79105,0.01301301);(329.05673,0.03603604);(329.073,0.04404404);(330.08002,0.00800801);(337.05923,0.01801802);(337.07721,0.01601602);(338.0705,0.02802803);(339.08459,0.00800801);(339.09958,0.01201201);(347.05206,0.01001001);(349.08435,0.00800801);(352.05725,0.00900901);(360.3407,0.01601602);(363.04538,0.00700701);(365.07605,0.01101101);(377.04205,0.00800801);(393.38147,0.00900901);(415.48987,0.00700701)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.05112,0.01401401);(327.04797,0.00500501);(329.05563,0.01501502);(329.06674,0.04504505);(330.0683,0.00500501);(353.06305,0.03003003);(383.07535,0.07007007);(384.07516,0.01401401);(395.06729,0.00900901);(395.08316,0.01201201);(413.07462,0.00900901);(413.086,0.01801802);(413.10092,0.00900901);(415.09012,0.00500501);(431.04282,0.00500501);(431.09427,0.12112112);(432.07904,0.00600601);(432.10724,0.02302302);(433.10925,0.00600601);(447.08688,0.00600601);(449.06247,0.01401401);(449.10541,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(95.05031,0.01301301);(137.02214,0.07207207);(137.02719,0.02102102);(141.07108,0.01001001);(147.04111,0.01301301);(149.02589,0.01301301);(151.04041,0.01701702);(161.02364,0.00800801);(164.04126,0.01401401);(165.01465,0.04004004);(165.02357,0.02002002);(166.02403,0.05105105);(176.85069,0.01001001);(177.01529,0.02002002);(179.03667,0.00800801);(180.03711,0.01101101);(180.04575,0.01101101);(189.0136,0.00800801);(190.03192,0.00800801);(191.02687,0.03103103);(191.06352,0.01401401);(195.03528,0.00800801);(196.03026,0.02002002);(205.04468,0.02002002);(215.0062,0.00800801);(215.0295,0.01201201);(216.15822,0.00800801);(235.54041,0.00800801);(245.04411,0.01001001);(248.08888,0.00700701);(251.05724,0.00800801);(255.05595,0.01201201);(258.04587,0.02302302);(269.03745,0.00700701);(270.05826,0.02302302);(270.07715,0.01101101);(282.05588,0.01301301);(283.05917,0.05105105);(284.05646,0.03003003);(284.07028,0.01101101);(285.49741,0.01101101);(287.05533,0.03903904);(287.33472,0.01501502);(288.05542,0.00800801);(288.06906,0.03003003);(289.06137,0.01201201);(294.8335,0.01601602);(296.05853,0.03003003);(297.04742,0.01701702);(297.08099,0.03403403);(297.23611,0.00900901);(298.98666,0.00700701);(299.02206,0.01201201);(299.03116,0.02702703);(299.05832,0.74674675);(299.07932,0.03603604);(299.09109,0.00800801);(299.96759,0.01301301);(300.04135,0.02102102);(300.0629,0.38738739);(300.58099,0.00700701);(301.03873,0.01101101);(301.05667,0.02602603);(301.07925,0.06706707);(302.06418,0.03103103);(302.07321,0.00900901);(308.07028,0.00900901);(310.04724,0.00800801);(310.07529,0.02302302);(311.05521,0.05305305);(311.06812,0.02202202);(311.09079,0.03003003);(312.05762,0.02202202);(312.08469,0.00800801);(312.09875,0.01301301);(312.8468,0.00700701);(313.03165,0.01401401);(313.06781,0.01001001);(313.08118,0.01201201);(317.57318,0.00800801);(318.29214,0.01101101);(323.04779,0.01401401);(323.06259,0.02402402);(324.08417,0.01701702);(325.05023,0.01401401);(325.07364,0.12112112);(325.09418,0.01401401);(326.05148,0.01301301);(326.07574,0.07407407);(326.09506,0.02402402);(327.04233,0.01201201);(327.05222,0.01301301);(327.08453,0.01901902);(327.09915,0.01101101);(328.06091,0.02802803);(328.57742,0.00700701);(328.97784,0.01001001);(329.03937,0.03403403);(329.05582,0.13913914);(329.06973,0.37337337);(329.54724,0.01101101);(330.05109,0.05605606);(330.06357,0.11911912);(330.0773,0.12212212);(331.04205,0.02302302);(331.0726,0.07607608);(333.08823,0.01001001);(336.34512,0.01501502);(337.05496,0.01301301);(337.07272,0.06706707);(339.08795,0.2022022);(340.07596,0.02102102);(340.09439,0.04804805);(340.10956,0.01301301);(341.0939,0.01401401);(347.63724,0.00800801);(348.89948,0.01001001);(349.06958,0.05405405);(350.06818,0.00900901);(350.92526,0.00800801);(351.07581,0.02202202);(351.08984,0.00900901);(353.06531,0.31631632);(353.07886,0.07907908);(353.98279,0.00900901);(354.05453,0.01701702);(354.07111,0.12512513);(354.39008,0.00800801);(355.07825,0.05705706);(361.06528,0.01201201);(365.06931,0.07807808);(366.05811,0.05505506);(366.07819,0.02302302);(367.0665,0.01101101);(367.08289,0.03503504);(367.10074,0.02002002);(368.09283,0.02102102);(377.06296,0.14514515);(378.06891,0.06506507);(382.06046,0.01001001);(383.05273,0.00900901);(383.07391,0.17417417);(383.09219,0.07407407);(384.06653,0.02902903);(384.08481,0.06206206);(384.09634,0.01801802);(384.83261,0.00900901);(385.04263,0.00800801);(385.09607,0.02702703);(385.86954,0.00700701);(394.06448,0.01501502);(394.26721,0.01301301);(395.039,0.00900901);(395.07556,0.14914915);(395.09167,0.04204204);(396.06378,0.04804805);(396.08142,0.12312312);(396.1095,0.00700701);(397.08328,0.00800801);(400.56546,0.00900901);(400.84906,0.00900901);(413.08789,0.12912913);(413.10095,0.04104104);(414.08667,0.13413413);(414.11014,0.02202202);(415.11002,0.00900901);(419.10696,0.01101101);(431.0239,0.01101101);(431.09641,0.1961962);(431.21417,0.01401401);(432.05603,0.00700701);(432.08499,0.03603604);(432.10999,0.12312312);(433.10458,0.04704705);(434.10843,0.01101101);(434.13815,0.01201201);(447.08859,0.02702703);(448.09045,0.01801802);(448.56863,0.00700701);(448.97754,0.01801802);(449.06793,0.03103103);(449.10944,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.03339,0.01201201);(112.98004,0.00500501);(135.04555,0.00900901);(137.01775,0.00700701);(145.02548,0.01301301);(149.14178,0.00600601);(163.02968,0.00600601);(163.04633,0.00700701);(165.01314,0.01001001);(165.01974,0.01301301);(166.01736,0.00600601);(175.0385,0.00600601);(177.01208,0.02102102);(177.02823,0.00500501);(179.02426,0.01001001);(181.0345,0.00700701);(189.12407,0.00500501);(190.99323,0.01101101);(191.00711,0.00700701);(191.02913,0.01501502);(191.38095,0.00900901);(197.0601,0.00700701);(212.08119,0.00600601);(213.01523,0.00800801);(215.03578,0.01301301);(231.03635,0.01101101);(245.03888,0.00700701);(246.03084,0.00500501);(246.06062,0.00700701);(255.05113,0.00700701);(261.0285,0.00900901);(266.47632,0.00600601);(266.55637,0.00600601);(269.04294,0.00600601);(270.01944,0.00500501);(271.05154,0.00600601);(272.41782,0.00500501);(274.04306,0.00600601);(283.02454,0.01101101);(283.05569,0.05005005);(284.05637,0.01001001);(286.0426,0.00700701);(287.05661,0.04604605);(288.04984,0.00500501);(293.29553,0.00500501);(297.04425,0.01201201);(297.07767,0.02602603);(297.09729,0.00500501);(298.08038,0.01101101);(298.97495,0.00500501);(299.05429,0.7967968);(300.02554,0.00600601);(300.03784,0.01301301);(300.05313,0.07707708);(300.06573,0.07607608);(301.05453,0.01201201);(301.07169,0.02002002);(307.06561,0.00500501);(309.34085,0.00700701);(311.02032,0.00500501);(311.04926,0.06006006);(311.06757,0.05005005);(311.09924,0.00800801);(313.06396,0.00900901);(313.08481,0.00600601);(314.08646,0.00900901);(321.06732,0.01101101);(321.08398,0.02002002);(323.08817,0.01101101);(324.0596,0.03203203);(324.99713,0.00500501);(325.0596,0.05905906);(325.07568,0.0990991);(325.09698,0.00800801);(326.0166,0.00500501);(326.06808,0.00800801);(326.0871,0.01501502);(326.14963,0.00500501);(327.05109,0.00700701);(327.06427,0.00700701);(329.06299,0.43543544);(329.07486,0.16116116);(330.06244,0.03803804);(330.07468,0.1011011);(331.06393,0.00700701);(331.07886,0.02002002);(336.06546,0.01001001);(337.06198,0.02102102);(338.07706,0.02502503);(339.07166,0.03803804);(339.08994,0.11611612);(340.07825,0.01001001);(340.09219,0.02002002);(345.46005,0.00900901);(349.05893,0.01001001);(349.07532,0.02902903);(350.06967,0.00800801);(351.04913,0.00600601);(351.09732,0.00600601);(353.01389,0.00600601);(353.06491,0.26226226);(354.02353,0.00500501);(354.06345,0.04404404);(354.07785,0.02902903);(355.07413,0.00600601);(364.99744,0.00600601);(365.02365,0.00900901);(365.06583,0.11711712);(366.04385,0.00700701);(366.06055,0.01301301);(367.04779,0.00600601);(367.07748,0.01501502);(367.09326,0.00500501);(375.04382,0.00600601);(377.03891,0.01401401);(377.06894,0.12512513);(378.06247,0.01801802);(379.06705,0.00600601);(383.0491,0.02702703);(383.06674,0.12112112);(383.08157,0.09209209);(384.07474,0.08608609);(385.07959,0.02002002);(395.04407,0.00600601);(395.07407,0.15015015);(396.03989,0.01301301);(396.08084,0.02602603);(411.07587,0.01301301);(413.06998,0.03103103);(413.08844,0.18318318);(414.05853,0.00800801);(414.07764,0.01801802);(414.09909,0.00600601);(415.49249,0.00500501);(417.09857,0.00500501);(431.09369,0.22622623);(431.10645,0.09209209);(431.98245,0.00500501);(432.08533,0.02202202);(432.10263,0.03203203);(432.11591,0.01401401);(433.09686,0.00900901);(433.12067,0.00600601);(447.07837,0.00600601);(447.10031,0.02002002);(449.05786,0.01201201);(449.10611,1.0);(449.17487,0.00600601)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(68.0635,0.03603604);(68.99463,0.07507508);(79.0569,0.03003003);(81.02818,0.02402402);(81.03473,0.02502503);(82.03949,0.02702703);(84.11543,0.02702703);(91.05749,0.02702703);(92.06197,0.05905906);(93.02703,0.03303303);(93.03504,0.05805806);(95.0507,0.02602603);(104.06135,0.03303303);(106.03926,0.04104104);(106.28392,0.02502503);(109.027,0.07207207);(111.04725,0.06006006);(120.286,0.02402402);(121.02967,0.04104104);(121.06123,0.03303303);(123.00582,0.17717718);(123.03738,0.03903904);(124.01552,0.05105105);(128.07106,0.03903904);(134.04001,0.03603604);(135.03438,0.07007007);(135.04883,0.16016016);(137.02519,0.11011011);(138.03088,0.05705706);(147.03615,0.03303303);(148.01538,0.02802803);(148.04961,0.02102102);(148.78552,0.02002002);(148.9962,0.05905906);(149.01347,0.11411411);(149.02391,0.23823824);(150.03093,0.11611612);(153.01724,0.06006006);(153.07253,0.03803804);(154.88449,0.02002002);(154.961,0.02002002);(159.03758,0.04304304);(160.9865,0.03203203);(161.02089,0.04604605);(163.03883,0.14014014);(164.03738,0.1031031);(164.04616,0.07307307);(164.99884,0.04304304);(165.02116,1.0);(165.04865,0.02802803);(166.02385,0.58958959);(166.15994,0.02302302);(167.02628,0.02002002);(168.05382,0.02502503);(169.02872,0.03003003);(169.06328,0.03903904);(171.61874,0.03603604);(174.32849,0.02102102);(176.0137,0.02602603);(177.01973,0.06906907);(177.06248,0.04504505);(178.02513,0.02702703);(179.02602,0.03203203);(179.03946,0.04404404);(180.02539,0.03003003);(185.07228,0.04604605);(186.06673,0.02102102);(187.04036,0.13713714);(188.03964,0.02502503);(188.05022,0.06906907);(188.99992,0.02802803);(189.02167,0.03203203);(189.05896,0.02802803);(190.02228,0.05205205);(190.05913,0.02402402);(190.9926,0.03203203);(191.02066,0.02802803);(191.03404,0.13013013);(191.0432,0.02802803);(192.03178,0.02702703);(194.01337,0.02702703);(195.00749,0.03303303);(197.05811,0.02602603);(203.03937,0.05905906);(205.05067,0.02702703);(210.06847,0.06306306);(213.05188,0.03103103);(216.03922,0.03403403);(218.05417,0.03903904);(224.03799,0.03203203);(229.01735,0.04304304);(229.09314,0.02702703);(230.05838,0.03403403);(243.05061,0.02502503);(243.06311,0.12712713);(244.02431,0.02002002);(244.0629,0.03203203);(245.05037,0.03003003);(245.06166,0.03703704);(252.06647,0.05005005);(253.04982,0.03603604);(253.05984,0.03003003);(254.06296,0.04104104);(255.03435,0.04404404);(255.06905,0.02502503);(256.06729,0.04004004);(257.03571,0.02502503);(258.06168,0.02702703);(259.06226,0.02502503);(263.04422,0.05805806);(266.05038,0.02002002);(268.08951,0.02502503);(269.04773,0.02402402);(270.03329,0.02402402);(270.04962,0.05705706);(270.06082,0.02002002);(271.04349,0.07107107);(271.05304,0.05805806);(271.08047,0.04004004);(271.85867,0.03903904);(272.05176,0.02602603);(272.06345,0.10810811);(272.07205,0.05205205);(273.03625,0.02802803);(273.06049,0.04104104);(273.069,0.02702703);(276.06876,0.03003003);(282.05411,0.02602603);(283.03461,0.02002002);(283.05569,0.27327327);(284.05548,0.11711712);(284.07169,0.02402402);(285.02588,0.03103103);(285.04492,0.0950951);(285.07135,0.05305305);(286.04462,0.03703704);(286.0546,0.02102102);(287.04028,0.03403403);(287.05118,0.07707708);(287.06985,0.03403403);(294.05139,0.04304304);(295.02057,0.03403403);(295.05618,0.05505506);(296.07214,0.07307307);(296.82016,0.02602603);(297.06131,0.02602603);(297.08466,0.02002002);(298.06342,0.02502503);(298.08533,0.07207207);(298.86832,0.02702703);(299.0462,0.47447447);(299.05774,0.37937938);(300.06097,0.43843844);(300.08173,0.03103103);(301.05887,0.21221221);(301.07401,0.03003003);(302.06924,0.03603604);(303.83432,0.02302302);(309.07788,0.03903904);(311.0546,0.12412412);(311.07809,0.06806807);(312.06253,0.13413413);(313.06467,0.04704705);(313.08414,0.02602603);(321.0661,0.07007007);(322.082,0.03903904);(322.86621,0.02002002);(323.05753,0.05805806);(324.0419,0.02402402);(324.05145,0.05605606);(324.06769,0.03003003);(325.05591,0.03003003);(325.07498,0.19019019);(326.04617,0.06306306);(326.08072,0.05005005);(327.09698,0.02402402);(329.07236,0.02002002);(333.59766,0.02402402);(337.04977,0.02502503);(337.06146,0.03903904);(339.06757,0.04104104);(349.05878,0.04104104);(373.10437,0.02702703);(380.44852,0.02102102)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.04935,0.01101101);(299.05975,0.01401401);(329.05432,0.01101101);(329.06586,0.03503504);(330.07266,0.01001001);(332.06827,0.00800801);(353.05304,0.01701702);(353.07187,0.01301301);(354.05896,0.01101101);(354.07376,0.02502503);(383.07269,0.07007007);(384.07739,0.02502503);(384.09402,0.00900901);(395.07718,0.02902903);(413.05655,0.00600601);(413.08612,0.02102102);(414.08698,0.01101101);(414.10071,0.01601602);(430.08133,0.00600601);(431.09476,0.0950951);(431.11517,0.02702703);(432.08926,0.02502503);(432.10867,0.04904905);(433.10535,0.02302302);(447.09549,0.01001001);(448.0993,0.04404404);(449.04773,0.01001001);(449.10852,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(57.03386,0.00900901);(81.03505,0.01501502);(85.02923,0.00600601);(87.0477,0.00900901);(149.02321,0.00800801);(150.02133,0.01701702);(165.01001,0.00700701);(165.02325,0.02902903);(166.02679,0.00700701);(179.03485,0.00800801);(192.03496,0.01101101);(202.05887,0.00700701);(211.96503,0.00600601);(216.0363,0.00600601);(226.04646,0.01301301);(242.50645,0.00800801);(243.02202,0.01101101);(244.03122,0.00700701);(249.7737,0.01001001);(255.06697,0.01001001);(269.04431,0.02002002);(269.07779,0.00800801);(270.04868,0.02302302);(272.06998,0.00900901);(281.02963,0.01201201);(283.05377,0.03003003);(283.06821,0.04804805);(284.04938,0.00800801);(284.06851,0.02802803);(286.04044,0.01701702);(286.05127,0.00900901);(287.01617,0.00800801);(287.03998,0.02002002);(287.05286,0.07707708);(287.06842,0.06406406);(288.06372,0.04204204);(288.08569,0.00600601);(293.07959,0.00700701);(295.05936,0.01001001);(297.03925,0.00800801);(297.07797,0.04204204);(298.04935,0.03803804);(298.08203,0.01401401);(299.01544,0.00800801);(299.0549,1.0);(299.9993,0.02302302);(300.06107,0.53153153);(301.0419,0.01801802);(301.06302,0.06606607);(302.01968,0.01101101);(309.05435,0.01601602);(309.08353,0.01001001);(310.04135,0.01901902);(311.05731,0.04004004);(311.09018,0.00700701);(311.86026,0.00600601);(312.04065,0.03203203);(312.06308,0.01901902);(312.07733,0.01701702);(312.40137,0.00700701);(313.06143,0.03903904);(314.0325,0.00800801);(314.07101,0.01201201);(315.52234,0.00800801);(321.05853,0.00600601);(321.07465,0.02502503);(321.10236,0.00900901);(321.88022,0.01301301);(323.05493,0.02302302);(324.05301,0.00700701);(324.06906,0.01901902);(325.02509,0.01601602);(325.0408,0.01101101);(325.06985,0.17417417);(325.09479,0.02202202);(326.05664,0.00600601);(326.0733,0.09009009);(326.08652,0.03503504);(327.09601,0.00700701);(328.04709,0.00800801);(328.05695,0.00700701);(328.56339,0.00700701);(329.00824,0.00700701);(329.06363,0.52452452);(329.23843,0.00700701);(330.01886,0.00700701);(330.04175,0.01901902);(330.06845,0.23423423);(330.08179,0.12312312);(330.74008,0.00600601);(331.05249,0.00700701);(331.0675,0.01201201);(331.0845,0.01401401);(332.05875,0.00600601);(332.08096,0.00600601);(336.06024,0.00900901);(337.07224,0.02102102);(338.07727,0.01001001);(339.04623,0.00700701);(339.06088,0.03703704);(339.07352,0.09309309);(339.09238,0.12712713);(339.55157,0.00600601);(340.08719,0.08608609);(341.0679,0.00800801);(341.08154,0.01701702);(342.10193,0.01401401);(343.07803,0.00900901);(348.06769,0.01001001);(349.0593,0.01901902);(349.07193,0.02802803);(349.08789,0.00600601);(350.08197,0.02002002);(350.10559,0.01201201);(351.02512,0.00600601);(351.04813,0.01601602);(351.09634,0.01001001);(352.01273,0.00800801);(352.03763,0.01201201);(353.02252,0.01201201);(353.03619,0.01401401);(353.07016,0.23423423);(353.11639,0.00700701);(354.03271,0.01301301);(354.07123,0.09309309);(355.06726,0.02602603);(355.08539,0.00600601);(364.05231,0.00700701);(365.05646,0.08608609);(365.07831,0.03603604);(366.05078,0.00600601);(366.07242,0.03503504);(366.08905,0.01001001);(367.04214,0.00900901);(367.06546,0.02502503);(367.08643,0.01501502);(368.08002,0.01501502);(374.44757,0.00800801);(376.04526,0.00600601);(376.06305,0.00700701);(377.0672,0.06506507);(378.0737,0.05805806);(379.05087,0.00600601);(379.07312,0.02402402);(380.08557,0.00700701);(383.08163,0.00600601);(383.09619,0.01601602);(384.05658,0.00600601);(384.07547,0.00900901);(390.70566,0.00900901);(395.03568,0.00700701);(395.05377,0.01601602);(395.07892,0.04704705);(395.09341,0.01501502);(396.07773,0.06806807);(397.06369,0.00900901);(398.08453,0.01401401);(413.07523,0.00800801);(413.08755,0.02302302);(414.07593,0.01501502);(414.10403,0.01301301);(415.05255,0.00700701)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(57.0354,0.01501502);(85.02872,0.02202202);(131.05391,0.01001001);(137.03072,0.01001001);(147.04082,0.01601602);(150.03416,0.01701702);(164.04973,0.00900901);(165.01299,0.01901902);(165.0249,0.01101101);(168.02515,0.01801802);(177.02151,0.01801802);(178.0179,0.01601602);(182.44484,0.01001001);(185.16022,0.02102102);(188.05099,0.01501502);(191.00093,0.01401401);(203.02722,0.01101101);(204.05186,0.01401401);(212.03569,0.01301301);(215.02635,0.01501502);(216.03477,0.01601602);(220.03487,0.00900901);(222.04366,0.00900901);(245.03587,0.01101101);(258.06433,0.01001001);(258.91794,0.01301301);(263.03204,0.01101101);(265.14484,0.01501502);(269.04419,0.01301301);(269.06354,0.01101101);(270.05859,0.02702703);(270.09393,0.01201201);(271.0556,0.02202202);(271.15146,0.00900901);(280.0726,0.00900901);(283.00366,0.01201201);(283.05508,0.02502503);(283.07056,0.04804805);(284.06073,0.01101101);(286.04636,0.01401401);(287.02466,0.01901902);(287.05099,0.03603604);(287.61365,0.00900901);(288.05099,0.02402402);(288.06458,0.02802803);(290.81253,0.00900901);(291.57373,0.01801802);(292.68936,0.01001001);(295.06573,0.03503504);(296.06671,0.01301301);(297.0676,0.08608609);(297.08627,0.04804805);(298.05219,0.02302302);(298.08264,0.02202202);(299.05441,0.94694695);(299.08231,0.02202202);(300.05142,0.19019019);(300.0621,0.42842843);(300.11874,0.01001001);(301.06125,0.13213213);(301.465,0.00900901);(302.08331,0.00900901);(309.06558,0.00900901);(311.06363,0.02002002);(311.08676,0.01101101);(312.05707,0.07807808);(313.07605,0.02702703);(313.09589,0.00900901);(316.01373,0.00900901);(316.05612,0.01101101);(321.07712,0.01201201);(323.05804,0.01201201);(323.5914,0.01001001);(323.90091,0.01501502);(324.02881,0.01101101);(324.06158,0.03203203);(325.03986,0.02102102);(325.05331,0.06706707);(325.0694,0.14514515);(326.06039,0.01901902);(326.07693,0.11111111);(326.09567,0.01201201);(327.02789,0.01901902);(327.04468,0.02102102);(327.05472,0.01901902);(327.0719,0.01101101);(327.08279,0.01001001);(327.30914,0.01701702);(329.02631,0.00900901);(329.06607,0.62262262);(330.07388,0.33533534);(330.24298,0.00900901);(330.94324,0.00900901);(331.0437,0.01401401);(331.06207,0.02302302);(331.08044,0.04304304);(332.07263,0.03003003);(336.17712,0.01001001);(337.04395,0.01301301);(337.06653,0.05905906);(339.00516,0.01201201);(339.0564,0.01201201);(339.07843,0.03103103);(339.09601,0.12412412);(340.0575,0.02102102);(340.09048,0.02902903);(340.11218,0.00900901);(341.08551,0.01301301);(341.10489,0.02602603);(342.09238,0.00900901);(342.80441,0.01501502);(346.42651,0.02902903);(349.05698,0.02202202);(349.08371,0.00900901);(351.03143,0.00900901);(351.05435,0.01201201);(352.05231,0.01401401);(352.07285,0.01301301);(353.06094,0.31631632);(353.09937,0.02302302);(354.02136,0.01701702);(354.04498,0.01501502);(354.06003,0.05305305);(354.07275,0.18018018);(354.08328,0.09409409);(355.0744,0.02302302);(356.02835,0.01401401);(359.00421,0.00900901);(364.05951,0.00900901);(365.0607,0.10710711);(365.07526,0.02602603);(366.04849,0.01201201);(366.07669,0.08608609);(367.06235,0.03403403);(367.09024,0.01001001);(368.03336,0.01101101);(368.09106,0.01101101);(370.05856,0.01001001);(377.02496,0.01801802);(377.05823,0.09209209);(377.08246,0.01501502);(377.4501,0.01401401);(378.04251,0.01101101);(378.07361,0.0950951);(379.05771,0.01601602);(383.04904,0.00900901);(383.07684,0.16916917);(383.90161,0.01401401);(384.07538,0.13013013);(384.1022,0.01101101);(385.08173,0.06306306);(385.11322,0.00900901);(386.0773,0.01601602);(388.98898,0.00900901);(395.0571,0.04604605);(395.07748,0.21721722);(396.05991,0.00900901);(396.08142,0.1001001);(397.08304,0.05005005);(413.06137,0.02402402);(413.08505,0.12512513);(413.11023,0.03403403);(414.08398,0.05405405);(414.50595,0.01901902);(415.08817,0.04904905);(426.74249,0.01101101);(430.08917,0.00900901);(431.09006,0.4044044);(431.19437,0.01001001);(432.06934,0.03903904);(432.09039,0.05905906);(432.10834,0.03503504);(432.12759,0.01001001);(433.10086,0.03303303);(433.12332,0.01401401);(433.36096,0.01601602);(434.13336,0.01401401);(446.90115,0.01001001);(447.37903,0.01001001);(448.09067,0.03203203);(448.12653,0.01501502);(449.07718,0.04804805);(449.10666,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(51.33245,0.01201201);(55.01653,0.00800801);(55.01982,0.01101101);(58.71135,0.00700701);(65.03963,0.01501502);(67.0237,0.01701702);(75.21275,0.00700701);(81.03116,0.00700701);(85.0323,0.01301301);(89.20773,0.00800801);(92.05899,0.01701702);(92.99303,0.00900901);(95.04575,0.00800801);(96.05144,0.00900901);(103.04076,0.01101101);(103.04996,0.00900901);(105.03694,0.01701702);(107.05612,0.01001001);(108.0145,0.01601602);(109.02549,0.03603604);(109.03333,0.03003003);(109.0651,0.02402402);(111.03794,0.00800801);(115.05558,0.02002002);(119.04737,0.02202202);(119.05344,0.01401401);(121.01959,0.01501502);(121.03067,0.05005005);(123.00659,0.1021021);(123.04723,0.00700701);(124.00789,0.01001001);(125.01071,0.00800801);(131.04904,0.01601602);(133.02745,0.01701702);(133.03676,0.00700701);(134.03996,0.01801802);(134.99582,0.01301301);(135.04378,0.17317317);(136.05052,0.01401401);(137.02376,0.31831832);(138.03311,0.04504505);(143.07698,0.01701702);(144.0553,0.00900901);(145.02557,0.01901902);(146.02863,0.01001001);(147.03944,0.01201201);(147.0448,0.00800801);(148.0466,0.01301301);(149.0224,0.0990991);(149.03172,0.01801802);(150.0182,0.01401401);(150.02969,0.00800801);(150.05246,0.01501502);(153.00049,0.03103103);(153.02975,0.01201201);(155.03899,0.01001001);(158.04173,0.01201201);(159.0412,0.02002002);(160.01932,0.01101101);(160.03889,0.00700701);(160.05595,0.01001001);(161.01842,0.03103103);(161.02812,0.01901902);(161.04503,0.01701702);(161.07014,0.01301301);(162.02838,0.01201201);(163.02945,0.05305305);(163.04028,0.05605606);(164.04037,0.01301301);(164.99805,0.01401401);(165.01836,1.0);(165.03981,0.00900901);(165.07579,0.01401401);(166.00185,0.01201201);(166.02022,0.08708709);(167.03244,0.01501502);(167.0692,0.01101101);(167.08147,0.01001001);(171.04791,0.01201201);(172.12785,0.00700701);(173.02209,0.02502503);(173.06854,0.00900901);(175.04167,0.02402402);(175.05957,0.01301301);(177.02074,0.06906907);(177.07005,0.00700701);(178.36771,0.00700701);(179.00127,0.05205205);(179.03281,0.02102102);(181.05939,0.01201201);(183.04753,0.00900901);(185.4603,0.00700701);(187.03467,0.02702703);(187.04616,0.01401401);(187.19431,0.00900901);(188.04486,0.01601602);(188.80389,0.00700701);(188.91441,0.01601602);(189.00203,0.00800801);(189.01538,0.05305305);(189.02806,0.00700701);(189.05402,0.01101101);(189.20853,0.00800801);(190.01685,0.02202202);(190.78488,0.00800801);(190.97427,0.00700701);(191.00473,0.01301301);(191.02681,0.06506507);(191.04007,0.04304304);(194.14896,0.00700701);(195.03004,0.02402402);(195.31935,0.00900901);(197.05782,0.03103103);(198.06303,0.00700701);(199.07521,0.01401401);(199.08665,0.01401401);(200.03809,0.00900901);(200.063,0.01401401);(201.86006,0.00700701);(202.04547,0.00800801);(202.05983,0.00800801);(203.03662,0.04404404);(203.08815,0.00900901);(204.03917,0.02102102);(205.04846,0.02802803);(205.06406,0.01001001);(208.05571,0.01501502);(211.06812,0.01801802);(213.0965,0.01501502);(215.02086,0.00700701);(215.0417,0.02202202);(215.05142,0.01601602);(216.03587,0.02002002);(216.06706,0.00800801);(219.02292,0.01001001);(219.0361,0.02502503);(219.0506,0.00900901);(226.06685,0.00700701);(227.04256,0.01601602);(229.04225,0.01301301);(231.01614,0.01301301);(231.03079,0.01701702);(231.05939,0.00700701);(237.06082,0.02302302);(241.04535,0.01601602);(241.05667,0.01201201);(242.01363,0.00900901);(243.02686,0.02402402);(243.0708,0.00800801);(244.02934,0.03603604);(245.04437,0.02702703);(245.05363,0.02702703);(247.06595,0.00700701);(248.40253,0.00700701);(249.08092,0.01001001);(251.06805,0.00700701);(252.52168,0.00700701);(253.02266,0.00700701);(255.05139,0.00800801);(255.07111,0.00800801);(257.05444,0.00800801);(257.07211,0.00900901);(258.0585,0.04704705);(263.07312,0.00800801);(265.03705,0.01001001);(265.07748,0.00800801);(269.03839,0.01501502);(270.03937,0.00700701);(270.04959,0.00700701);(270.71948,0.01901902);(271.0123,0.01901902);(271.04904,0.02402402);(271.06094,0.05105105);(272.04892,0.01601602);(272.06577,0.05105105);(276.31631,0.00700701);(281.04636,0.00800801);(282.04489,0.02402402);(282.05917,0.01101101);(282.08603,0.01101101);(283.0578,0.18018018);(283.07895,0.02002002);(284.05008,0.01401401);(284.06259,0.03703704);(285.04037,0.00900901);(286.03391,0.04804805);(287.05356,0.05105105);(287.69901,0.00700701);(288.04706,0.00700701);(289.06195,0.00800801);(293.04285,0.01001001);(293.06714,0.00800801);(293.07986,0.01501502);(295.03281,0.00900901);(295.05139,0.04804805);(295.06732,0.05405405);(296.84039,0.01001001);(297.04385,0.01801802);(297.06436,0.02502503);(297.0784,0.07007007);(298.06943,0.01501502);(298.08078,0.02602603);(298.87268,0.00800801);(299.02145,0.01401401);(299.04843,0.28428428);(299.06317,0.28928929);(299.24686,0.00700701);(300.03857,0.02002002);(300.06024,0.2022022);(300.07458,0.08308308);(301.03281,0.00700701);(301.05527,0.01201201);(301.06805,0.02002002);(301.10718,0.01101101);(302.08496,0.01401401);(305.0835,0.03103103);(305.09305,0.00900901);(307.07382,0.01101101);(309.03024,0.01501502);(310.04187,0.00800801);(310.31512,0.01301301);(310.76926,0.01001001);(311.03012,0.01001001);(311.03986,0.02002002);(311.05597,0.07507508);(311.0889,0.02402402);(311.10522,0.01301301);(312.05228,0.02102102);(312.41968,0.01101101);(313.05051,0.01801802);(313.07941,0.01801802);(321.03665,0.01901902);(321.0773,0.01101101);(323.04089,0.00700701);(323.06369,0.01301301);(323.08017,0.01001001);(324.05231,0.00900901);(324.07455,0.03203203);(325.03845,0.00700701);(325.06662,0.02402402);(325.07751,0.03103103);(326.06824,0.01601602);(326.09573,0.01001001);(327.07071,0.00800801);(329.06036,0.00700701);(329.07892,0.02502503);(330.07919,0.00800801);(336.03223,0.01601602);(337.05542,0.01701702);(337.07458,0.01401401);(338.03766,0.00800801);(338.07825,0.00800801);(339.02567,0.01101101);(339.08051,0.00800801);(339.09662,0.01701702);(339.81964,0.00700701);(341.0719,0.00800801);(349.05432,0.00700701);(349.07092,0.02602603);(378.06024,0.01401401);(397.69928,0.02002002);(424.3522,0.01201201);(444.92972,0.00800801);(449.10779,0.01101101)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(109.029,0.01501502);(135.04613,0.00900901);(137.01686,0.01301301);(137.0249,0.05205205);(138.0192,0.00900901);(149.02292,0.01401401);(161.02576,0.02202202);(163.03787,0.02302302);(164.04053,0.01301301);(165.01068,0.01101101);(165.01942,0.01101101);(166.02646,0.01501502);(174.50426,0.01101101);(177.01407,0.02802803);(179.99896,0.01001001);(180.44315,0.01101101);(187.04228,0.01501502);(188.04268,0.01701702);(192.03879,0.01801802);(204.02951,0.00900901);(213.05565,0.01401401);(216.99022,0.01501502);(222.53488,0.00900901);(229.03391,0.01201201);(241.68694,0.01701702);(242.24207,0.02102102);(243.02448,0.00900901);(245.04779,0.01401401);(248.2496,0.00900901);(249.99907,0.01001001);(254.04022,0.01301301);(256.06213,0.01101101);(258.05432,0.01201201);(259.89838,0.01001001);(270.03033,0.01601602);(270.04367,0.01601602);(270.0639,0.02302302);(271.03403,0.00900901);(272.06464,0.01101101);(272.07999,0.01601602);(272.53766,0.02902903);(283.05673,0.03103103);(283.06799,0.05305305);(284.01276,0.00900901);(284.07129,0.04504505);(284.53223,0.01201201);(285.07925,0.02802803);(287.05338,0.05605606);(288.04456,0.01501502);(288.07016,0.01301301);(291.34814,0.01601602);(293.17184,0.01301301);(295.64218,0.01001001);(297.07379,0.02202202);(297.08441,0.02502503);(298.04962,0.01501502);(298.07602,0.02802803);(298.0907,0.02302302);(299.0195,0.01401401);(299.05402,0.94094094);(299.22592,0.00900901);(300.03439,0.03403403);(300.0596,0.2952953);(301.03342,0.01601602);(301.05728,0.11111111);(301.07227,0.03603604);(301.37366,0.00900901);(302.07208,0.01501502);(311.01407,0.00900901);(311.05243,0.05905906);(311.07053,0.03803804);(311.08356,0.01001001);(311.37668,0.01101101);(312.04858,0.01101101);(312.06039,0.04904905);(313.04105,0.00900901);(324.05612,0.03003003);(324.0697,0.02102102);(324.70422,0.03003003);(325.06436,0.1961962);(325.09116,0.01001001);(326.06873,0.02302302);(327.04941,0.01001001);(327.07925,0.01001001);(328.05154,0.03303303);(329.04034,0.05205205);(329.06619,0.47447447);(330.05505,0.03903904);(330.07385,0.29029029);(331.0524,0.01001001);(331.06281,0.01101101);(331.07938,0.04204204);(332.07977,0.01401401);(336.05328,0.01501502);(338.07968,0.01001001);(339.07877,0.05505506);(339.09341,0.07107107);(339.12482,0.00900901);(340.06598,0.02002002);(340.09485,0.07307307);(342.09045,0.00900901);(350.07535,0.02302302);(352.25821,0.01001001);(353.06677,0.34134134);(353.08762,0.03303303);(354.04327,0.01001001);(354.0694,0.12212212);(355.06775,0.02102102);(355.08005,0.02602603);(356.06573,0.01101101);(365.05823,0.02402402);(365.07712,0.00900901);(366.06393,0.03303303);(366.07867,0.01801802);(367.04657,0.00900901);(367.0831,0.02902903);(367.09961,0.01201201);(368.07855,0.02802803);(368.2977,0.01001001);(370.07455,0.01001001);(376.05063,0.01201201);(376.26535,0.01901902);(377.05841,0.02602603);(377.07022,0.07707708);(378.06714,0.02802803);(380.05307,0.01901902);(382.06073,0.02902903);(383.05713,0.02802803);(383.07486,0.10510511);(383.23102,0.00900901);(384.07114,0.06906907);(384.08984,0.07407407);(385.08542,0.01801802);(386.27151,0.01201201);(395.07166,0.11211211);(395.09879,0.02402402);(396.06018,0.01201201);(396.08057,0.11911912);(397.08371,0.01001001);(397.09695,0.01401401);(399.0625,0.01101101);(409.99136,0.01201201);(413.04654,0.01201201);(413.07538,0.10510511);(413.10919,0.01101101);(414.08749,0.03503504);(414.10641,0.04204204);(415.08795,0.01801802);(416.06372,0.00900901);(423.785,0.01001001);(429.09003,0.01601602);(431.08966,0.14414414);(431.10587,0.14914915);(431.11578,0.05605606);(432.07065,0.02402402);(432.09409,0.08108108);(432.15576,0.01001001);(433.11563,0.07507508);(433.15585,0.01901902);(433.93457,0.00900901);(434.12274,0.01001001);(448.09637,0.02002002);(449.06708,0.01201201);(449.10648,1.0)
LC-MS/MSLC-ESI-QTOFNegativehighView Spectrum(133.0302,0.30630631);(163.0047,0.07207207);(175.0408,0.06406406);(284.035,0.12712713);(285.0431,0.24124124);(297.0429,0.40540541);(298.051,0.30530531);(299.0592,0.24924925);(311.0582,0.11011011);(327.053,1.0);(339.0535,0.13213213);(357.0641,0.78578579);(429.0859,0.10910911);(447.0928,0.94994995)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(97.03078,0.00500501);(119.99698,0.00500501);(137.0211,0.00900901);(149.02684,0.00700701);(177.02293,0.00700701);(187.0338,0.00900901);(205.1187,0.00600601);(247.28879,0.00600601);(258.08386,0.00600601);(269.00793,0.00600601);(271.00919,0.00600601);(283.06207,0.03503504);(285.07312,0.00500501);(286.03979,0.01001001);(286.0491,0.00800801);(287.0484,0.01601602);(287.06009,0.05405405);(288.05835,0.01701702);(292.08334,0.00700701);(297.05121,0.01001001);(297.07208,0.05205205);(298.03357,0.00600601);(298.05145,0.00800801);(298.08337,0.01101101);(299.02655,0.02202202);(299.05591,1.0);(299.95255,0.00500501);(300.03455,0.01401401);(300.05807,0.16016016);(301.05118,0.00700701);(301.06693,0.02502503);(301.07779,0.01501502);(310.05658,0.00500501);(311.05719,0.05505506);(311.08603,0.00600601);(312.04895,0.00800801);(312.05896,0.01001001);(312.07944,0.01901902);(313.0108,0.01001001);(313.03146,0.01201201);(313.08032,0.01301301);(321.06918,0.02002002);(321.08594,0.01401401);(322.08008,0.00900901);(323.06033,0.01801802);(324.06952,0.01301301);(325.0311,0.01201201);(325.04321,0.02202202);(325.06921,0.25625626);(326.04962,0.03103103);(326.07492,0.05005005);(327.0488,0.00900901);(328.06686,0.00800801);(328.99432,0.00600601);(329.03125,0.00800801);(329.06949,0.55455455);(330.04562,0.01401401);(330.0668,0.15715716);(331.06119,0.00700701);(331.07233,0.00600601);(337.04184,0.00800801);(337.07404,0.02802803);(337.08859,0.00600601);(337.37592,0.00600601);(338.08029,0.00700701);(339.02762,0.01601602);(339.04666,0.00800801);(339.08505,0.22922923);(340.0643,0.00600601);(340.08286,0.01501502);(340.099,0.02402402);(341.0766,0.00900901);(341.09174,0.00600601);(342.08615,0.00500501);(344.065,0.00500501);(349.05844,0.01601602);(349.07245,0.04504505);(350.08347,0.01501502);(351.04514,0.00700701);(352.9996,0.00500501);(353.03854,0.01501502);(353.06403,0.24624625);(354.01559,0.00600601);(354.05722,0.01501502);(354.07056,0.06706707);(354.0939,0.00500501);(355.07803,0.00800801);(365.06091,0.07807808);(365.07565,0.06306306);(366.06787,0.02202202);(366.08411,0.01001001);(367.07443,0.01801802);(377.05228,0.03603604);(377.0686,0.12312312);(378.06583,0.00700701);(378.08456,0.01101101);(383.02484,0.00800801);(395.00845,0.00600601);(395.05664,0.01201201);(395.07874,0.06306306);(396.06842,0.00800801);(396.08298,0.02102102);(396.09756,0.00700701);(413.06906,0.00700701);(413.08862,0.01001001)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.03168,0.00800801);(137.01929,0.01101101);(165.01198,0.02402402);(165.02107,0.00600601);(167.03409,0.00600601);(175.02788,0.01001001);(188.20436,0.00500501);(189.00694,0.00800801);(189.01825,0.00500501);(210.41663,0.00500501);(215.02716,0.01001001);(220.0307,0.00700701);(242.24553,0.00700701);(243.0847,0.00600601);(254.07559,0.00700701);(269.04932,0.01101101);(282.06595,0.00600601);(283.05237,0.01001001);(283.06015,0.01701702);(284.05832,0.01101101);(286.02151,0.00600601);(286.03671,0.01201201);(286.05856,0.00700701);(287.05389,0.06206206);(287.06857,0.02002002);(288.05692,0.01501502);(296.07724,0.00500501);(297.05069,0.01101101);(297.06778,0.01501502);(297.08698,0.01401401);(298.08429,0.00700701);(298.17337,0.00600601);(299.02414,0.02802803);(299.05676,1.0);(300.00171,0.00500501);(300.0488,0.05505506);(300.06183,0.18218218);(301.06342,0.05005005);(302.10834,0.00700701);(311.03516,0.01001001);(311.05453,0.07607608);(311.06485,0.02802803);(312.05795,0.01801802);(313.02881,0.01201201);(313.05713,0.00900901);(313.08188,0.02002002);(314.04349,0.01201201);(321.07117,0.03503504);(321.09131,0.00500501);(323.05139,0.01801802);(324.04141,0.00700701);(324.05164,0.00800801);(324.06879,0.01801802);(325.01569,0.01001001);(325.03217,0.02102102);(325.04633,0.03203203);(325.0741,0.16716717);(326.07101,0.02802803);(326.08643,0.01201201);(327.03983,0.00800801);(327.056,0.01501502);(327.07397,0.01701702);(328.0726,0.00600601);(329.00467,0.01001001);(329.02115,0.00900901);(329.06677,0.69169169);(330.04526,0.01201201);(330.06992,0.1021021);(331.06161,0.01301301);(331.0719,0.01501502);(335.06281,0.00600601);(337.06186,0.01301301);(337.07962,0.01001001);(338.05637,0.00600601);(339.03342,0.01101101);(339.07578,0.07807808);(339.09268,0.14014014);(339.10284,0.04904905);(340.06912,0.01801802);(340.09229,0.02602603);(340.10764,0.01901902);(341.08276,0.02102102);(341.09775,0.01301301);(349.0582,0.02502503);(349.07477,0.04004004);(350.06693,0.01101101);(351.05234,0.01401401);(351.07376,0.00500501);(353.00616,0.00700701);(353.02872,0.00700701);(353.05728,0.11911912);(353.07675,0.08308308);(354.06613,0.02402402);(354.09421,0.01101101);(365.03146,0.01101101);(365.07199,0.1031031);(366.06885,0.02202202);(366.08029,0.01101101);(367.06619,0.00600601);(367.08054,0.01101101);(368.08368,0.00600601);(377.04849,0.02102102);(377.06915,0.19319319);(378.06995,0.03403403);(383.07462,0.00800801);(395.05792,0.02002002);(395.07901,0.04104104);(395.09503,0.02802803);(396.08017,0.01301301);(397.06479,0.00800801);(397.08154,0.00700701);(413.08337,0.01001001)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.0513,0.01001001);(329.05115,0.00800801);(329.06964,0.03703704);(330.07227,0.00800801);(353.06589,0.03903904);(354.07626,0.00600601);(383.08124,0.05205205);(383.09958,0.01101101);(384.07663,0.01101101);(384.09439,0.00700701);(395.08298,0.01501502);(413.08405,0.02702703);(413.10284,0.01101101);(414.09238,0.00900901);(431.0618,0.00800801);(431.09866,0.0980981);(432.09283,0.02002002);(432.11447,0.01801802);(433.09769,0.00500501);(447.07901,0.00800801);(448.09912,0.00700701);(449.05106,0.00800801);(449.10818,1.0);(449.17062,0.00600601)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.05441,0.01201201);(329.06201,0.03103103);(329.07388,0.01901902);(353.06302,0.01801802);(353.08029,0.00500501);(354.06143,0.00600601);(383.05817,0.01201201);(383.07153,0.04004004);(383.08694,0.01801802);(384.07578,0.00800801);(385.09891,0.00600601);(395.06378,0.00600601);(413.08096,0.02202202);(414.0874,0.00500501);(431.09848,0.1001001);(432.08517,0.01001001);(432.10532,0.01901902);(449.06204,0.00800801);(449.10538,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(57.97443,0.01101101);(61.03227,0.01001001);(73.02406,0.01401401);(81.03873,0.00800801);(81.06291,0.01401401);(85.0237,0.02402402);(89.04083,0.01301301);(91.04108,0.00800801);(91.05038,0.02102102);(91.05457,0.00900901);(93.03126,0.00800801);(95.05346,0.01001001);(103.03226,0.00900901);(105.00345,0.00800801);(105.03412,0.00900901);(107.01099,0.02202202);(109.01745,0.02002002);(109.03106,0.03203203);(113.29529,0.01001001);(115.05569,0.01001001);(117.0685,0.01101101);(118.0393,0.01001001);(119.05129,0.00800801);(121.02528,0.05005005);(123.00915,0.04104104);(124.00462,0.01301301);(124.00989,0.01201201);(130.99612,0.00900901);(135.00929,0.01601602);(135.04532,0.10910911);(135.26189,0.01501502);(136.03979,0.01601602);(136.04846,0.01601602);(137.02359,0.19319319);(138.02405,0.01901902);(138.02956,0.02302302);(138.0547,0.01401401);(138.15889,0.00700701);(145.0253,0.03403403);(146.04088,0.00900901);(147.0126,0.00800801);(147.03548,0.01601602);(147.0435,0.01601602);(149.02281,0.14814815);(149.06274,0.00800801);(153.01176,0.02202202);(159.03822,0.01301301);(159.04463,0.02202202);(159.05133,0.01301301);(160.05421,0.00800801);(160.99548,0.00900901);(161.01874,0.04404404);(161.02748,0.09009009);(161.0379,0.01201201);(162.9982,0.01601602);(163.00601,0.02302302);(163.04121,0.14514515);(164.04228,0.01001001);(164.79796,0.01001001);(164.98698,0.01001001);(165.00238,0.03403403);(165.0191,1.0);(165.06944,0.01001001);(166.01144,0.01901902);(166.02501,0.08408408);(166.56772,0.00900901);(167.01663,0.01101101);(167.03157,0.02202202);(168.0898,0.01601602);(171.04584,0.02802803);(173.02386,0.07307307);(174.0323,0.00900901);(174.38332,0.00800801);(175.041,0.05005005);(176.00146,0.00700701);(176.97725,0.00800801);(176.99652,0.01401401);(177.01385,0.03203203);(177.02336,0.01501502);(177.05099,0.01301301);(178.02904,0.00800801);(179.01694,0.01901902);(179.03276,0.03603604);(179.04474,0.01101101);(181.06198,0.01401401);(186.07106,0.01001001);(187.03905,0.1031031);(187.72778,0.00900901);(188.99156,0.01201201);(189.01587,0.01201201);(189.02548,0.03003003);(189.63631,0.01001001);(190.01015,0.01001001);(190.99686,0.01001001);(191.00725,0.02402402);(191.03577,0.04504505);(191.04945,0.02802803);(193.06116,0.01001001);(195.08479,0.00900901);(197.64975,0.02002002);(199.04323,0.01001001);(199.06296,0.01301301);(201.0459,0.00900901);(202.03929,0.00700701);(202.33766,0.00800801);(203.02875,0.02702703);(203.03937,0.04404404);(204.37587,0.00700701);(205.00572,0.01501502);(205.03993,0.03103103);(205.05743,0.00800801);(206.98969,0.00800801);(209.0564,0.01001001);(215.02434,0.02902903);(215.03465,0.03603604);(215.05983,0.01001001);(215.06938,0.00900901);(216.04591,0.00800801);(216.05466,0.00800801);(217.02786,0.01401401);(217.55067,0.01101101);(217.96292,0.01201201);(218.05663,0.00900901);(219.03276,0.01801802);(222.03441,0.01301301);(223.06992,0.00800801);(226.06615,0.01301301);(227.06792,0.00800801);(229.0468,0.00800801);(231.0658,0.01101101);(239.07629,0.00800801);(240.06992,0.01601602);(241.05304,0.00800801);(243.03012,0.02502503);(243.04588,0.01901902);(243.06432,0.02602603);(244.13965,0.01101101);(245.0464,0.04804805);(246.0601,0.01201201);(249.06421,0.00700701);(251.03162,0.01401401);(251.05254,0.01001001);(254.0336,0.00900901);(255.06599,0.03803804);(256.06839,0.01601602);(258.04709,0.02102102);(258.064,0.03403403);(258.54016,0.00700701);(261.04575,0.01101101);(262.63855,0.01201201);(264.90817,0.00800801);(265.03995,0.00900901);(265.08871,0.01001001);(268.03799,0.01201201);(269.04587,0.01101101);(270.00238,0.00700701);(270.07413,0.00800801);(270.36575,0.01401401);(271.05865,0.02102102);(272.06201,0.03603604);(272.07486,0.02402402);(273.06741,0.01001001);(276.05234,0.01001001);(277.93497,0.00800801);(279.06149,0.01701702);(281.05051,0.01001001);(282.04944,0.00700701);(282.06018,0.01401401);(282.99908,0.01101101);(283.0506,0.03203203);(283.06244,0.15215215);(283.07709,0.07007007);(283.08658,0.02102102);(283.15543,0.02902903);(284.07794,0.00900901);(285.03357,0.01101101);(285.06525,0.01001001);(286.02133,0.00800801);(286.05316,0.02902903);(286.06482,0.02402402);(287.02325,0.00700701);(287.0632,0.02902903);(293.03998,0.01501502);(293.08264,0.00800801);(294.33234,0.00800801);(295.04166,0.00800801);(295.06412,0.10610611);(295.08356,0.00800801);(296.05447,0.00800801);(297.07513,0.13513514);(297.08844,0.04604605);(298.07184,0.00900901);(298.09283,0.01601602);(299.0412,0.11411411);(299.05801,0.51251251);(300.0043,0.00800801);(300.06183,0.26026026);(300.09048,0.04204204);(301.07083,0.03003003);(302.05984,0.01001001);(307.39728,0.01201201);(309.06216,0.02002002);(309.08795,0.01101101);(310.04468,0.00900901);(311.0213,0.01501502);(311.04074,0.01501502);(311.05139,0.02702703);(311.06238,0.04004004);(311.08182,0.01301301);(312.04825,0.01001001);(313.02963,0.00800801);(313.05035,0.03703704);(313.07532,0.03303303);(315.05109,0.00800801);(321.0769,0.04704705);(322.18155,0.00800801);(323.05734,0.03803804);(324.04306,0.04204204);(324.06482,0.03103103);(325.05447,0.02002002);(325.07251,0.12012012);(326.06522,0.02102102);(326.08173,0.01401401);(327.0593,0.00800801);(327.09412,0.01901902);(327.10272,0.00900901);(329.0636,0.01101101);(329.07516,0.01301301);(330.07022,0.02102102);(335.07312,0.01101101);(336.06067,0.01601602);(336.07639,0.01001001);(337.06433,0.02402402);(337.0817,0.01101101);(339.07727,0.02102102);(340.02939,0.00700701);(347.04666,0.00800801);(365.04242,0.00800801);(377.0657,0.01301301);(404.00613,0.01301301);(421.0062,0.00800801);(444.70276,0.00700701);(447.0834,0.00900901)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(80.06118,0.01901902);(82.04633,0.03203203);(85.02791,0.01601602);(92.06474,0.02302302);(93.03233,0.01701702);(95.01066,0.02602603);(95.02155,0.02202202);(96.05441,0.01601602);(96.06303,0.02802803);(96.15479,0.01701702);(102.30315,0.02102102);(103.05209,0.01601602);(104.29385,0.01901902);(105.03159,0.08508509);(107.0174,0.03703704);(109.02878,0.0970971);(110.03531,0.02102102);(111.04145,0.02202202);(117.03356,0.02802803);(119.05447,0.01901902);(121.02647,0.11611612);(121.06487,0.02102102);(122.03999,0.1011011);(122.99812,0.02102102);(123.00375,0.04604605);(123.01304,0.02802803);(124.0103,0.05105105);(125.00793,0.03103103);(132.05533,0.01901902);(134.02737,0.05005005);(134.03748,0.04704705);(135.04193,0.31031031);(136.04883,0.06206206);(137.01004,0.01901902);(137.02426,0.33933934);(138.0231,0.06106106);(138.03041,0.01901902);(140.04247,0.02802803);(141.06592,0.02502503);(143.01414,0.05105105);(145.06111,0.01801802);(146.03236,0.02302302);(146.98132,0.03003003);(147.02747,0.03503504);(147.0423,0.06806807);(148.04984,0.03503504);(149.02019,0.13713714);(149.02815,0.16016016);(150.02744,0.06306306);(150.03505,0.03003003);(153.02554,0.03903904);(154.0296,0.01601602);(155.09291,0.01601602);(158.03378,0.01801802);(159.04872,0.03703704);(160.05118,0.02402402);(160.06181,0.02602603);(161.02084,0.17917918);(162.01834,0.01701702);(162.03171,0.02002002);(162.039,0.01601602);(163.02605,0.04104104);(163.03381,0.05405405);(163.04103,0.01801802);(164.01593,0.03403403);(164.04591,0.01801802);(164.05705,0.02302302);(164.99425,0.04104104);(165.01926,1.0);(165.99596,0.02802803);(166.00674,0.02202202);(166.0218,0.38138138);(166.04344,0.03803804);(167.02861,0.13813814);(167.0338,0.06506507);(171.42039,0.02702703);(173.02336,0.01601602);(175.50194,0.02902903);(176.06693,0.02702703);(177.01903,0.08608609);(177.0495,0.02002002);(177.05995,0.02802803);(178.02759,0.06106106);(179.03455,0.04204204);(179.0777,0.02002002);(179.09018,0.01801802);(179.9989,0.02002002);(180.00722,0.02802803);(180.04167,0.03703704);(180.05659,0.01601602);(180.07654,0.01701702);(180.99219,0.02902903);(181.01329,0.03403403);(181.0708,0.02802803);(186.34845,0.02102102);(187.03949,0.09409409);(188.04355,0.03403403);(188.94798,0.01701702);(189.01578,0.03703704);(189.02293,0.06106106);(189.05997,0.04704705);(190.02802,0.04704705);(190.07108,0.01701702);(190.99875,0.03903904);(191.02005,0.02802803);(191.03,0.05505506);(191.04573,0.01701702);(191.07893,0.02502503);(192.00996,0.02202202);(192.04121,0.03203203);(193.6763,0.04004004);(196.0386,0.06006006);(199.04181,0.01701702);(202.05812,0.02802803);(203.03636,0.06006006);(204.08417,0.03903904);(206.06087,0.03103103);(209.06596,0.03903904);(214.07083,0.02002002);(215.02827,0.04204204);(215.0381,0.04704705);(215.06168,0.02702703);(215.20543,0.01701702);(216.0466,0.03003003);(219.02243,0.03203203);(225.05087,0.02902903);(226.05788,0.04704705);(226.06737,0.02502503);(228.08034,0.02302302);(229.01205,0.02002002);(231.03809,0.01601602);(232.0257,0.02602603);(235.07732,0.03303303);(237.04843,0.02402402);(238.59605,0.02702703);(239.03438,0.03603604);(240.09866,0.01801802);(240.50525,0.01701702);(241.05139,0.01701702);(242.05563,0.01601602);(243.06357,0.04304304);(243.07445,0.01501502);(243.48381,0.01901902);(244.04587,0.02002002);(244.07396,0.02502503);(245.04742,0.06506507);(247.05307,0.02402402);(252.07353,0.02402402);(253.0294,0.02302302);(254.04742,0.03203203);(255.07292,0.01801802);(256.06955,0.02402402);(258.04089,0.02002002);(258.04803,0.05205205);(258.06134,0.01901902);(259.05722,0.01601602);(261.20718,0.02702703);(269.07544,0.02402402);(270.05316,0.01801802);(271.04767,0.01801802);(271.06378,0.04404404);(271.98883,0.03203203);(272.07126,0.03503504);(278.06921,0.03503504);(281.04764,0.01601602);(282.09109,0.04004004);(283.05423,0.12112112);(283.10513,0.01701702);(284.05267,0.06506507);(284.06833,0.12412412);(284.41089,0.02702703);(285.06863,0.02102102);(286.01053,0.02202202);(286.04855,0.05205205);(286.06012,0.03703704);(287.03751,0.01801802);(287.05551,0.06506507);(288.06589,0.03903904);(288.10535,0.02502503);(289.05139,0.02602603);(293.03799,0.05205205);(295.06741,0.1021021);(296.07321,0.02702703);(297.07095,0.06906907);(297.08731,0.02002002);(298.07523,0.05105105);(298.34766,0.01601602);(299.04605,0.22222222);(299.06036,0.55455455);(299.07977,0.05705706);(300.01276,0.02302302);(300.04602,0.06706707);(300.06696,0.4974975);(301.02945,0.01801802);(301.05289,0.04004004);(301.06879,0.2012012);(302.07562,0.04404404);(303.08096,0.01801802);(303.21521,0.02802803);(303.60455,0.01801802);(308.06027,0.02602603);(308.07056,0.03003003);(310.10089,0.05105105);(311.05896,0.05705706);(311.09479,0.02202202);(312.05704,0.0990991);(312.07233,0.03003003);(312.10648,0.02002002);(313.07208,0.02902903);(313.08942,0.01901902);(314.06528,0.01701702);(319.06033,0.02302302);(321.07962,0.05505506);(324.05588,0.02202202);(324.06625,0.02302302);(325.03842,0.02002002);(325.07434,0.23823824);(326.05368,0.01801802);(326.07138,0.06406406);(327.08359,0.05605606);(329.05319,0.01701702);(329.1619,0.03503504);(337.05682,0.02702703);(339.08942,0.06706707);(340.09079,0.02002002);(341.11734,0.02602603);(349.05508,0.01901902);(353.0611,0.02702703);(353.07452,0.01701702);(361.88486,0.05605606);(368.08319,0.03403403)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.027,0.013);(165.019,0.034);(177.023,0.012);(187.041,0.013);(215.036,0.016);(243.03,0.018);(245.037,0.011);(265.065,0.012);(269.044,0.022);(270.06,0.011);(281.047,0.011);(283.058,0.066);(286.044,0.02);(286.053,0.014);(287.054,0.029);(288.059,0.021);(295.083,0.012);(297.068,0.018);(297.08,0.036);(298.078,0.011);(299.053,0.958);(300.062,0.164);(301.055,0.013);(301.065,0.01);(303.071,0.014);(311.049,0.056);(311.071,0.024);(311.094,0.016);(313.053,0.014);(321.06,0.01);(321.084,0.024);(324.051,0.015);(324.067,0.016);(325.032,0.011);(325.043,0.015);(325.073,0.212);(326.053,0.012);(326.078,0.025);(327.058,0.012);(329.066,0.596);(330.058,0.073);(330.075,0.057);(331.067,0.011);(337.075,0.013);(339.075,0.06);(339.088,0.099);(339.103,0.022);(340.087,0.029);(340.108,0.01);(349.069,0.023);(350.074,0.023);(353.068,0.392);(354.069,0.065);(365.031,0.012);(365.062,0.089);(365.078,0.028);(366.077,0.053);(367.063,0.017);(367.079,0.012);(377.051,0.043);(377.067,0.037);(378.059,0.016);(378.073,0.029);(383.079,0.207);(384.079,0.032);(395.068,0.095);(395.082,0.101);(396.085,0.019);(396.948,0.01);(397.082,0.021);(413.054,0.015);(413.085,0.167);(414.091,0.023);(415.095,0.014);(431.101,0.285);(432.075,0.019);(432.095,0.053);(449.107,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.051,0.014);(329.056,0.015);(329.067,0.045);(353.063,0.03);(383.075,0.07);(384.075,0.014);(395.083,0.012);(413.086,0.018);(431.094,0.121);(432.107,0.023);(449.062,0.014);(449.105,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(283.062,0.035);(286.04,0.01);(287.048,0.016);(287.06,0.054);(288.058,0.017);(297.051,0.01);(297.072,0.052);(298.083,0.011);(299.027,0.022);(299.056,1.0);(300.035,0.014);(300.058,0.16);(301.067,0.025);(301.078,0.015);(311.057,0.055);(312.059,0.01);(312.079,0.019);(313.011,0.01);(313.031,0.012);(313.08,0.013);(321.069,0.02);(321.086,0.014);(323.06,0.018);(324.07,0.013);(325.031,0.012);(325.043,0.022);(325.069,0.256);(326.05,0.031);(326.075,0.05);(329.069,0.555);(330.046,0.014);(330.067,0.157);(337.074,0.028);(339.028,0.016);(339.085,0.229);(340.083,0.015);(340.099,0.024);(349.058,0.016);(349.072,0.045);(350.083,0.015);(353.039,0.015);(353.064,0.246);(354.057,0.015);(354.071,0.067);(365.061,0.078);(365.076,0.063);(366.068,0.022);(366.084,0.01);(367.074,0.018);(377.052,0.036);(377.069,0.123);(378.085,0.011);(395.057,0.012);(395.079,0.063);(396.083,0.021);(413.089,0.01)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(65.02,0.011);(76.024,0.01);(77.042,0.011);(81.035,0.029);(85.029,0.011);(91.056,0.044);(92.057,0.012);(95.05,0.041);(103.053,0.022);(107.05,0.023);(108.054,0.016);(109.028,0.097);(111.015,0.019);(115.021,0.011);(115.052,0.01);(117.112,0.011);(121.016,0.013);(121.031,0.053);(121.037,0.017);(121.056,0.01);(122.028,0.01);(123.007,0.055);(123.018,0.014);(124.022,0.011);(131.047,0.019);(133.031,0.021);(134.044,0.037);(135.003,0.015);(135.026,0.013);(135.043,0.146);(136.046,0.044);(137.01,0.014);(137.024,0.212);(139.039,0.011);(145.024,0.015);(147.044,0.01);(149.02,0.156);(149.027,0.068);(150.032,0.023);(157.061,0.014);(159.033,0.015);(159.039,0.037);(161.021,0.031);(161.026,0.079);(162.025,0.013);(163.036,0.134);(164.824,0.013);(164.953,0.018);(165.018,1.0);(166.01,0.046);(166.026,0.025);(167.024,0.012);(169.027,0.016);(171.044,0.012);(175.037,0.027);(176.011,0.023);(176.045,0.011);(177.018,0.04);(177.054,0.016);(178.023,0.026);(178.078,0.012);(178.996,0.019);(179.011,0.013);(179.033,0.03);(179.041,0.016);(180.03,0.029);(181.065,0.011);(187.037,0.05);(189.012,0.024);(189.023,0.023);(190.025,0.026);(190.983,0.024);(191.029,0.028);(191.043,0.016);(191.093,0.011);(192.009,0.01);(195.027,0.019);(195.083,0.011);(201.055,0.014);(202.018,0.014);(203.036,0.042);(205.046,0.027);(207.08,0.011);(212.047,0.011);(213.085,0.013);(215.031,0.04);(217.009,0.012);(222.079,0.011);(225.501,0.012);(226.987,0.013);(227.054,0.017);(234.066,0.02);(241.04,0.019);(243.033,0.032);(244.06,0.014);(244.083,0.014);(245.024,0.013);(245.046,0.054);(247.018,0.016);(251.075,0.022);(254.061,0.04);(254.963,0.019);(255.063,0.035);(256.35,0.015);(258.053,0.052);(258.082,0.011);(263.077,0.017);(265.079,0.011);(265.535,0.022);(268.031,0.014);(268.064,0.01);(268.08,0.01);(269.028,0.01);(270.046,0.012);(270.062,0.031);(271.057,0.016);(272.061,0.014);(272.072,0.019);(273.081,0.023);(283.054,0.114);(283.066,0.053);(284.057,0.025);(285.033,0.022);(285.047,0.026);(286.037,0.039);(286.052,0.061);(287.051,0.051);(287.066,0.012);(295.036,0.028);(295.068,0.064);(296.056,0.019);(296.076,0.011);(297.046,0.013);(297.074,0.104);(297.098,0.01);(298.067,0.019);(299.013,0.018);(299.032,0.061);(299.054,0.4);(299.073,0.083);(300.044,0.042);(300.065,0.147);(300.082,0.01);(301.064,0.027);(302.131,0.011);(310.053,0.019);(311.044,0.021);(311.059,0.074);(312.062,0.034);(313.029,0.012);(313.044,0.026);(313.081,0.035);(316.039,0.01);(320.071,0.024);(322.086,0.02);(323.051,0.01);(324.059,0.028);(325.073,0.101);(325.091,0.029);(326.085,0.04);(326.791,0.013);(329.057,0.036);(329.073,0.044);(337.059,0.018);(337.077,0.016);(338.07,0.028);(339.1,0.012);(347.052,0.01);(360.341,0.016);(365.076,0.011)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(137.018,0.012);(161.027,0.018);(165.016,0.027);(166.029,0.01);(205.053,0.013);(215.033,0.02);(243.029,0.02);(255.072,0.011);(283.051,0.031);(283.066,0.031);(284.064,0.013);(284.08,0.012);(287.054,0.031);(287.063,0.01);(288.059,0.01);(296.07,0.016);(297.074,0.055);(299.002,0.01);(299.019,0.026);(299.057,0.863);(300.06,0.239);(301.063,0.022);(311.035,0.022);(311.057,0.06);(311.093,0.023);(312.062,0.017);(313.04,0.012);(313.069,0.02);(322.08,0.011);(324.056,0.015);(324.068,0.015);(325.029,0.028);(325.073,0.183);(326.061,0.015);(326.075,0.057);(329.065,0.644);(330.044,0.013);(330.071,0.102);(337.061,0.017);(337.087,0.01);(339.07,0.018);(339.09,0.138);(340.082,0.015);(340.094,0.027);(349.08,0.023);(350.08,0.01);(353.034,0.014);(353.065,0.332);(354.068,0.076);(365.058,0.051);(365.069,0.109);(366.066,0.01);(366.083,0.013);(367.078,0.01);(377.065,0.103);(377.092,0.013);(378.062,0.039);(383.076,0.188);(384.065,0.019);(384.077,0.023);(395.061,0.065);(395.081,0.118);(396.072,0.018);(396.089,0.044);(413.086,0.202);(414.066,0.011);(414.083,0.022);(414.096,0.018);(431.095,0.179);(431.109,0.068);(432.097,0.042);(432.112,0.025);(433.092,0.02);(449.055,0.022);(449.107,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.051,0.01);(329.07,0.037);(353.066,0.039);(383.081,0.052);(383.1,0.011);(384.077,0.011);(395.083,0.015);(413.084,0.027);(413.103,0.011);(431.099,0.098);(432.093,0.02);(432.114,0.018);(449.108,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(243.03,0.01);(283.063,0.038);(284.057,0.01);(286.05,0.022);(287.056,0.046);(288.06,0.011);(297.075,0.043);(298.09,0.013);(298.988,0.01);(299.014,0.017);(299.056,1.0);(300.027,0.017);(300.051,0.079);(300.065,0.084);(301.068,0.017);(311.055,0.069);(311.103,0.01);(313.059,0.01);(313.074,0.011);(324.053,0.015);(325.033,0.035);(325.071,0.27);(326.081,0.037);(329.032,0.018);(329.065,0.537);(330.065,0.06);(330.082,0.04);(331.056,0.01);(337.081,0.019);(339.052,0.017);(339.086,0.24);(340.067,0.014);(340.092,0.012);(347.054,0.015);(349.065,0.03);(353.048,0.038);(353.068,0.227);(354.072,0.046);(365.058,0.057);(365.076,0.049);(366.069,0.039);(366.088,0.015);(367.061,0.013);(367.082,0.037);(377.064,0.075);(377.086,0.022);(378.072,0.016);(383.068,0.015);(395.071,0.033);(395.089,0.021);(396.07,0.02);(396.082,0.01);(413.077,0.021)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(51.332,0.012);(55.02,0.011);(65.04,0.015);(67.024,0.017);(85.032,0.013);(92.059,0.017);(103.041,0.011);(105.037,0.017);(107.056,0.01);(108.014,0.016);(109.025,0.036);(109.033,0.03);(109.065,0.024);(115.056,0.02);(119.047,0.022);(119.053,0.014);(121.02,0.015);(121.031,0.05);(123.007,0.102);(124.008,0.01);(131.049,0.016);(133.027,0.017);(134.04,0.018);(134.996,0.013);(135.044,0.173);(136.051,0.014);(137.024,0.318);(138.033,0.045);(143.077,0.017);(145.026,0.019);(146.029,0.01);(147.039,0.012);(148.047,0.013);(149.022,0.099);(149.032,0.018);(150.018,0.014);(150.052,0.015);(153.0,0.031);(153.03,0.012);(155.039,0.01);(158.042,0.012);(159.041,0.02);(160.019,0.011);(160.056,0.01);(161.018,0.031);(161.028,0.019);(161.045,0.017);(161.07,0.013);(162.028,0.012);(163.029,0.053);(163.04,0.056);(164.04,0.013);(164.998,0.014);(165.018,1.0);(165.076,0.014);(166.002,0.012);(166.02,0.087);(167.032,0.015);(167.069,0.011);(167.081,0.01);(171.048,0.012);(173.022,0.025);(175.042,0.024);(175.06,0.013);(177.021,0.069);(179.001,0.052);(179.033,0.021);(181.059,0.012);(187.035,0.027);(187.046,0.014);(188.045,0.016);(188.914,0.016);(189.015,0.053);(189.054,0.011);(190.017,0.022);(191.005,0.013);(191.027,0.065);(191.04,0.043);(195.03,0.024);(197.058,0.031);(199.075,0.014);(199.087,0.014);(200.063,0.014);(203.037,0.044);(204.039,0.021);(205.048,0.028);(205.064,0.01);(208.056,0.015);(211.068,0.018);(213.096,0.015);(215.042,0.022);(215.051,0.016);(216.036,0.02);(219.023,0.01);(219.036,0.025);(227.043,0.016);(229.042,0.013);(231.016,0.013);(231.031,0.017);(237.061,0.023);(241.045,0.016);(241.057,0.012);(243.027,0.024);(244.029,0.036);(245.044,0.027);(245.054,0.027);(249.081,0.01);(258.058,0.047);(265.037,0.01);(269.038,0.015);(270.719,0.019);(271.012,0.019);(271.049,0.024);(271.061,0.051);(272.049,0.016);(272.066,0.051);(282.045,0.024);(282.059,0.011);(282.086,0.011);(283.058,0.18);(283.079,0.02);(284.05,0.014);(284.063,0.037);(286.034,0.048);(287.054,0.051);(293.043,0.01);(293.08,0.015);(295.051,0.048);(295.067,0.054);(296.84,0.01);(297.044,0.018);(297.064,0.025);(297.078,0.07);(298.069,0.015);(298.081,0.026);(299.021,0.014);(299.048,0.284);(299.063,0.289);(300.039,0.02);(300.06,0.202);(300.075,0.083);(301.055,0.012);(301.068,0.02);(301.107,0.011);(302.085,0.014);(305.084,0.031);(307.074,0.011);(309.03,0.015);(310.315,0.013);(310.769,0.01);(311.03,0.01);(311.04,0.02);(311.056,0.075);(311.089,0.024);(311.105,0.013);(312.052,0.021);(312.42,0.011);(313.051,0.018);(313.079,0.018);(321.037,0.019);(321.077,0.011);(323.064,0.013);(323.08,0.01);(324.075,0.032);(325.067,0.024);(325.078,0.031);(326.068,0.016);(326.096,0.01);(329.079,0.025);(336.032,0.016);(337.055,0.017);(337.075,0.014);(339.026,0.011);(339.097,0.017);(349.071,0.026);(378.06,0.014);(397.699,0.02);(424.352,0.012);(449.108,0.011)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(85.033,0.012);(145.025,0.013);(165.013,0.01);(165.02,0.013);(177.012,0.021);(179.024,0.01);(190.993,0.011);(191.029,0.015);(215.036,0.013);(231.036,0.011);(283.025,0.011);(283.056,0.05);(284.056,0.01);(287.057,0.046);(297.044,0.012);(297.078,0.026);(298.08,0.011);(299.054,0.797);(300.038,0.013);(300.053,0.077);(300.066,0.076);(301.055,0.012);(301.072,0.02);(311.049,0.06);(311.068,0.05);(321.067,0.011);(321.084,0.02);(323.088,0.011);(324.06,0.032);(325.06,0.059);(325.076,0.099);(326.087,0.015);(329.063,0.435);(329.075,0.161);(330.062,0.038);(330.075,0.101);(331.079,0.02);(336.065,0.01);(337.062,0.021);(338.077,0.025);(339.072,0.038);(339.09,0.116);(340.078,0.01);(340.092,0.02);(349.059,0.01);(349.075,0.029);(353.065,0.262);(354.063,0.044);(354.078,0.029);(365.066,0.117);(366.061,0.013);(367.077,0.015);(377.039,0.014);(377.069,0.125);(378.062,0.018);(383.049,0.027);(383.067,0.121);(383.082,0.092);(384.075,0.086);(385.08,0.02);(395.074,0.15);(396.04,0.013);(396.081,0.026);(411.076,0.013);(413.07,0.031);(413.088,0.183);(414.078,0.018);(431.094,0.226);(431.106,0.092);(432.085,0.022);(432.103,0.032);(432.116,0.014);(447.1,0.02);(449.058,0.012);(449.106,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.054,0.012);(329.062,0.031);(329.074,0.019);(353.063,0.018);(383.058,0.012);(383.072,0.04);(383.087,0.018);(413.081,0.022);(431.098,0.1);(432.085,0.01);(432.105,0.019);(449.105,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(137.019,0.011);(165.012,0.024);(175.028,0.01);(215.027,0.01);(269.049,0.011);(283.052,0.01);(283.06,0.017);(284.058,0.011);(286.037,0.012);(287.054,0.062);(287.069,0.02);(288.057,0.015);(297.051,0.011);(297.068,0.015);(297.087,0.014);(299.024,0.028);(299.057,1.0);(300.049,0.055);(300.062,0.182);(301.063,0.05);(311.035,0.01);(311.055,0.076);(311.065,0.028);(312.058,0.018);(313.029,0.012);(313.082,0.02);(314.043,0.012);(321.071,0.035);(323.051,0.018);(324.069,0.018);(325.016,0.01);(325.032,0.021);(325.046,0.032);(325.074,0.167);(326.071,0.028);(326.086,0.012);(327.056,0.015);(327.074,0.017);(329.005,0.01);(329.067,0.692);(330.045,0.012);(330.07,0.102);(331.062,0.013);(331.072,0.015);(337.062,0.013);(337.08,0.01);(339.033,0.011);(339.076,0.078);(339.093,0.14);(339.103,0.049);(340.069,0.018);(340.092,0.026);(340.108,0.019);(341.083,0.021);(341.098,0.013);(349.058,0.025);(349.075,0.04);(350.067,0.011);(351.052,0.014);(353.057,0.119);(353.077,0.083);(354.066,0.024);(354.094,0.011);(365.031,0.011);(365.072,0.103);(366.069,0.022);(366.08,0.011);(367.081,0.011);(377.048,0.021);(377.069,0.193);(378.07,0.034);(395.058,0.02);(395.079,0.041);(395.095,0.028);(396.08,0.013);(413.083,0.01)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(57.974,0.011);(61.032,0.01);(73.024,0.014);(81.063,0.014);(85.024,0.024);(89.041,0.013);(91.05,0.021);(95.053,0.01);(107.011,0.022);(109.017,0.02);(109.031,0.032);(113.295,0.01);(115.056,0.01);(117.068,0.011);(118.039,0.01);(121.025,0.05);(123.009,0.041);(124.005,0.013);(124.01,0.012);(135.009,0.016);(135.045,0.109);(135.262,0.015);(136.04,0.016);(136.048,0.016);(137.024,0.193);(138.024,0.019);(138.03,0.023);(138.055,0.014);(145.025,0.034);(147.035,0.016);(147.044,0.016);(149.023,0.148);(153.012,0.022);(159.038,0.013);(159.045,0.022);(159.051,0.013);(161.019,0.044);(161.027,0.09);(161.038,0.012);(162.998,0.016);(163.006,0.023);(163.041,0.145);(164.042,0.01);(164.798,0.01);(164.987,0.01);(165.002,0.034);(165.019,1.0);(165.069,0.01);(166.011,0.019);(166.025,0.084);(167.017,0.011);(167.032,0.022);(168.09,0.016);(171.046,0.028);(173.024,0.073);(175.041,0.05);(176.997,0.014);(177.014,0.032);(177.023,0.015);(177.051,0.013);(179.017,0.019);(179.033,0.036);(179.045,0.011);(181.062,0.014);(186.071,0.01);(187.039,0.103);(188.992,0.012);(189.016,0.012);(189.025,0.03);(189.636,0.01);(190.01,0.01);(190.997,0.01);(191.007,0.024);(191.036,0.045);(191.049,0.028);(193.061,0.01);(197.65,0.02);(199.043,0.01);(199.063,0.013);(203.029,0.027);(203.039,0.044);(205.006,0.015);(205.04,0.031);(209.056,0.01);(215.024,0.029);(215.035,0.036);(215.06,0.01);(217.028,0.014);(217.551,0.011);(217.963,0.012);(219.033,0.018);(222.034,0.013);(226.066,0.013);(231.066,0.011);(240.07,0.016);(243.03,0.025);(243.046,0.019);(243.064,0.026);(244.14,0.011);(245.046,0.048);(246.06,0.012);(251.032,0.014);(251.053,0.01);(255.066,0.038);(256.068,0.016);(258.047,0.021);(258.064,0.034);(261.046,0.011);(262.639,0.012);(265.089,0.01);(268.038,0.012);(269.046,0.011);(270.366,0.014);(271.059,0.021);(272.062,0.036);(272.075,0.024);(273.067,0.01);(276.052,0.01);(279.061,0.017);(281.051,0.01);(282.06,0.014);(282.999,0.011);(283.051,0.032);(283.062,0.152);(283.077,0.07);(283.087,0.021);(283.155,0.029);(285.034,0.011);(285.065,0.01);(286.053,0.029);(286.065,0.024);(287.063,0.029);(293.04,0.015);(295.064,0.106);(297.075,0.135);(297.088,0.046);(298.093,0.016);(299.041,0.114);(299.058,0.513);(300.062,0.26);(300.09,0.042);(301.071,0.03);(302.06,0.01);(307.397,0.012);(309.062,0.02);(309.088,0.011);(311.021,0.015);(311.041,0.015);(311.051,0.027);(311.062,0.04);(311.082,0.013);(312.048,0.01);(313.05,0.037);(313.075,0.033);(321.077,0.047);(323.057,0.038);(324.043,0.042);(324.065,0.031);(325.054,0.02);(325.073,0.12);(326.065,0.021);(326.082,0.014);(327.094,0.019);(329.064,0.011);(329.075,0.013);(330.07,0.021);(335.073,0.011);(336.061,0.016);(336.076,0.01);(337.064,0.024);(337.082,0.011);(339.077,0.021);(377.066,0.013);(404.006,0.013)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(109.029,0.015);(137.017,0.013);(137.025,0.052);(149.023,0.014);(161.026,0.022);(163.038,0.023);(164.041,0.013);(165.011,0.011);(165.019,0.011);(166.026,0.015);(174.504,0.011);(177.014,0.028);(179.999,0.01);(180.443,0.011);(187.042,0.015);(188.043,0.017);(192.039,0.018);(213.056,0.014);(216.99,0.015);(229.034,0.012);(241.687,0.017);(242.242,0.021);(245.048,0.014);(249.999,0.01);(254.04,0.013);(256.062,0.011);(258.054,0.012);(259.898,0.01);(270.03,0.016);(270.044,0.016);(270.064,0.023);(272.065,0.011);(272.08,0.016);(272.538,0.029);(283.057,0.031);(283.068,0.053);(284.071,0.045);(284.532,0.012);(285.079,0.028);(287.053,0.056);(288.045,0.015);(288.07,0.013);(291.348,0.016);(293.172,0.013);(295.642,0.01);(297.074,0.022);(297.084,0.025);(298.05,0.015);(298.076,0.028);(298.091,0.023);(299.02,0.014);(299.054,0.941);(300.034,0.034);(300.06,0.295);(301.033,0.016);(301.057,0.111);(301.072,0.036);(302.072,0.015);(311.052,0.059);(311.071,0.038);(311.084,0.01);(311.377,0.011);(312.049,0.011);(312.06,0.049);(324.056,0.03);(324.07,0.021);(324.704,0.03);(325.064,0.196);(325.091,0.01);(326.069,0.023);(327.049,0.01);(327.079,0.01);(328.052,0.033);(329.04,0.052);(329.066,0.474);(330.055,0.039);(330.074,0.29);(331.052,0.01);(331.063,0.011);(331.079,0.042);(332.08,0.014);(336.053,0.015);(338.08,0.01);(339.079,0.055);(339.093,0.071);(340.066,0.02);(340.095,0.073);(350.075,0.023);(352.258,0.01);(353.067,0.341);(353.088,0.033);(354.043,0.01);(354.069,0.122);(355.068,0.021);(355.08,0.026);(356.066,0.011);(365.058,0.024);(366.064,0.033);(366.079,0.018);(367.083,0.029);(367.1,0.012);(368.079,0.028);(368.298,0.01);(370.075,0.01);(376.051,0.012);(376.265,0.019);(377.058,0.026);(377.07,0.077);(378.067,0.028);(380.053,0.019);(382.061,0.029);(383.057,0.028);(383.075,0.105);(384.071,0.069);(384.09,0.074);(385.085,0.018);(386.272,0.012);(395.072,0.112);(395.099,0.024);(396.06,0.012);(396.081,0.119);(397.084,0.01);(397.097,0.014);(399.062,0.011);(409.991,0.012);(413.047,0.012);(413.075,0.105);(413.109,0.011);(414.087,0.035);(414.106,0.042);(415.088,0.018);(423.785,0.01);(429.09,0.016);(431.09,0.144);(431.106,0.149);(431.116,0.056);(432.071,0.024);(432.094,0.081);(432.156,0.01);(433.116,0.075);(433.156,0.019);(434.123,0.01);(448.096,0.02);(449.067,0.012);(449.106,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(329.07,0.036);(330.069,0.026);(353.062,0.05);(354.073,0.035);(382.071,0.011);(383.08,0.064);(384.075,0.02);(395.074,0.015);(413.081,0.051);(414.09,0.012);(431.063,0.011);(431.098,0.152);(432.1,0.046);(432.117,0.018);(433.101,0.023);(448.091,0.032);(448.11,0.019);(449.109,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(81.035,0.015);(150.021,0.017);(165.023,0.029);(192.035,0.011);(226.046,0.013);(243.022,0.011);(249.774,0.01);(255.067,0.01);(269.044,0.02);(270.049,0.023);(281.03,0.012);(283.054,0.03);(283.068,0.048);(284.069,0.028);(286.04,0.017);(287.04,0.02);(287.053,0.077);(287.068,0.064);(288.064,0.042);(295.059,0.01);(297.078,0.042);(298.049,0.038);(298.082,0.014);(299.055,1.0);(299.999,0.023);(300.061,0.532);(301.042,0.018);(301.063,0.066);(302.02,0.011);(309.054,0.016);(309.084,0.01);(310.041,0.019);(311.057,0.04);(312.041,0.032);(312.063,0.019);(312.077,0.017);(313.061,0.039);(314.071,0.012);(321.075,0.025);(321.88,0.013);(323.055,0.023);(324.069,0.019);(325.025,0.016);(325.041,0.011);(325.07,0.174);(325.095,0.022);(326.073,0.09);(326.087,0.035);(329.064,0.525);(330.042,0.019);(330.068,0.234);(330.082,0.123);(331.068,0.012);(331.084,0.014);(337.072,0.021);(338.077,0.01);(339.061,0.037);(339.074,0.093);(339.092,0.127);(340.087,0.086);(341.082,0.017);(342.102,0.014);(348.068,0.01);(349.059,0.019);(349.072,0.028);(350.082,0.02);(350.106,0.012);(351.048,0.016);(351.096,0.01);(352.038,0.012);(353.023,0.012);(353.036,0.014);(353.07,0.234);(354.033,0.013);(354.071,0.093);(355.067,0.026);(365.056,0.086);(365.078,0.036);(366.072,0.035);(366.089,0.01);(367.065,0.025);(367.086,0.015);(368.08,0.015);(377.067,0.065);(378.074,0.058);(379.073,0.024);(383.096,0.016);(395.054,0.016);(395.079,0.047);(395.093,0.015);(396.078,0.068);(398.085,0.014);(413.088,0.023);(414.076,0.015);(414.104,0.013)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(68.998,0.058);(81.034,0.067);(84.057,0.022);(92.021,0.029);(95.05,0.031);(96.056,0.025);(97.028,0.019);(103.036,0.019);(103.056,0.025);(106.043,0.02);(107.051,0.041);(108.054,0.028);(109.027,0.022);(111.002,0.026);(115.055,0.04);(121.061,0.019);(123.009,0.041);(123.016,0.023);(124.01,0.036);(124.016,0.036);(125.022,0.017);(131.048,0.068);(133.025,0.017);(135.029,0.028);(135.044,0.276);(136.041,0.022);(136.048,0.024);(137.014,0.052);(137.026,0.243);(139.6,0.021);(141.09,0.024);(143.398,0.028);(145.029,0.028);(147.043,0.078);(149.008,0.016);(149.022,0.233);(149.048,0.021);(150.022,0.027);(150.033,0.074);(150.067,0.019);(151.037,0.053);(153.022,0.05);(153.067,0.03);(154.022,0.042);(154.029,0.019);(157.061,0.017);(159.037,0.041);(159.047,0.071);(161.02,0.09);(161.029,0.023);(162.03,0.081);(163.036,0.132);(163.048,0.019);(164.048,0.022);(164.058,0.032);(164.156,0.016);(164.959,0.016);(164.985,0.043);(165.001,0.021);(165.019,1.0);(165.059,0.025);(166.025,0.478);(166.071,0.024);(167.035,0.028);(170.065,0.019);(173.024,0.027);(173.061,0.028);(174.036,0.021);(176.007,0.019);(176.028,0.036);(177.013,0.044);(177.022,0.025);(178.026,0.035);(179.03,0.028);(179.04,0.045);(185.056,0.035);(187.036,0.057);(187.042,0.083);(189.009,0.019);(189.02,0.023);(190.028,0.047);(190.215,0.019);(191.028,0.041);(191.038,0.052);(192.003,0.04);(192.088,0.018);(194.039,0.033);(195.072,0.018);(197.03,0.025);(202.026,0.021);(203.035,0.074);(204.04,0.029);(204.057,0.032);(205.049,0.031);(205.496,0.018);(208.037,0.048);(214.682,0.038);(216.037,0.041);(225.019,0.028);(227.024,0.023);(231.0,0.019);(231.029,0.025);(231.056,0.022);(239.03,0.022);(243.069,0.038);(244.037,0.023);(245.035,0.028);(247.08,0.019);(254.053,0.032);(255.067,0.046);(256.073,0.126);(257.062,0.022);(258.041,0.026);(259.074,0.026);(261.056,0.024);(262.038,0.024);(263.034,0.029);(265.057,0.048);(266.389,0.026);(269.042,0.024);(269.076,0.026);(269.089,0.026);(270.051,0.034);(270.06,0.019);(271.058,0.142);(272.07,0.088);(273.044,0.024);(273.067,0.017);(273.082,0.078);(275.064,0.08);(282.049,0.025);(283.059,0.095);(283.079,0.018);(284.06,0.128);(284.078,0.018);(284.088,0.023);(285.033,0.064);(286.048,0.076);(286.058,0.037);(287.052,0.039);(288.058,0.02);(288.064,0.045);(289.074,0.036);(293.078,0.025);(294.088,0.019);(295.066,0.04);(295.077,0.016);(296.052,0.017);(296.08,0.031);(297.044,0.036);(297.082,0.176);(298.034,0.017);(298.048,0.019);(298.067,0.024);(298.079,0.028);(298.09,0.032);(299.032,0.023);(299.057,0.376);(300.029,0.018);(300.042,0.079);(300.061,0.519);(300.079,0.148);(301.052,0.037);(301.075,0.051);(301.592,0.025);(301.819,0.017);(303.074,0.016);(308.061,0.033);(309.056,0.022);(309.081,0.035);(311.056,0.076);(311.09,0.073);(312.05,0.027);(313.068,0.057);(313.098,0.02);(321.053,0.024);(321.094,0.023);(324.067,0.061);(325.048,0.025);(325.068,0.097);(326.077,0.017);(329.068,0.02);(330.065,0.027);(337.051,0.017);(338.094,0.042);(339.067,0.037);(339.08,0.119);(339.104,0.028);(340.075,0.022);(340.113,0.038);(347.048,0.028);(347.114,0.024);(351.06,0.037);(367.09,0.027)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(95.05,0.013);(137.022,0.072);(137.027,0.021);(141.071,0.01);(147.041,0.013);(149.026,0.013);(151.04,0.017);(164.041,0.014);(165.015,0.04);(165.024,0.02);(166.024,0.051);(176.851,0.01);(177.015,0.02);(180.037,0.011);(180.046,0.011);(191.027,0.031);(191.064,0.014);(196.03,0.02);(205.045,0.02);(215.03,0.012);(245.044,0.01);(255.056,0.012);(258.046,0.023);(270.058,0.023);(270.077,0.011);(282.056,0.013);(283.059,0.051);(284.056,0.03);(284.07,0.011);(285.497,0.011);(287.055,0.039);(287.335,0.015);(288.069,0.03);(289.061,0.012);(294.834,0.016);(296.059,0.03);(297.047,0.017);(297.081,0.034);(299.022,0.012);(299.031,0.027);(299.058,0.747);(299.079,0.036);(299.968,0.013);(300.041,0.021);(300.063,0.387);(301.039,0.011);(301.057,0.026);(301.079,0.067);(302.064,0.031);(310.075,0.023);(311.055,0.053);(311.068,0.022);(311.091,0.03);(312.058,0.022);(312.099,0.013);(313.032,0.014);(313.068,0.01);(313.081,0.012);(318.292,0.011);(323.048,0.014);(323.063,0.024);(324.084,0.017);(325.05,0.014);(325.074,0.121);(325.094,0.014);(326.051,0.013);(326.076,0.074);(326.095,0.024);(327.042,0.012);(327.052,0.013);(327.085,0.019);(327.099,0.011);(328.061,0.028);(328.978,0.01);(329.039,0.034);(329.056,0.139);(329.07,0.373);(329.547,0.011);(330.051,0.056);(330.064,0.119);(330.077,0.122);(331.042,0.023);(331.073,0.076);(333.088,0.01);(336.345,0.015);(337.055,0.013);(337.073,0.067);(339.088,0.202);(340.076,0.021);(340.094,0.048);(340.11,0.013);(341.094,0.014);(348.899,0.01);(349.07,0.054);(351.076,0.022);(353.065,0.316);(353.079,0.079);(354.055,0.017);(354.071,0.125);(355.078,0.057);(361.065,0.012);(365.069,0.078);(366.058,0.055);(366.078,0.023);(367.066,0.011);(367.083,0.035);(367.101,0.02);(368.093,0.021);(377.063,0.145);(378.069,0.065);(382.06,0.01);(383.074,0.174);(383.092,0.074);(384.067,0.029);(384.085,0.062);(384.096,0.018);(385.096,0.027);(394.064,0.015);(394.267,0.013);(395.076,0.149);(395.092,0.042);(396.064,0.048);(396.081,0.123);(413.088,0.129);(413.101,0.041);(414.087,0.134);(414.11,0.022);(419.107,0.011);(431.024,0.011);(431.096,0.196);(431.214,0.014);(432.085,0.036);(432.11,0.123);(433.105,0.047);(434.108,0.011);(434.138,0.012);(447.089,0.027);(448.09,0.018);(448.978,0.018);(449.068,0.031);(449.109,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(329.055,0.01);(329.069,0.028);(329.081,0.011);(330.066,0.028);(353.046,0.01);(353.065,0.019);(354.072,0.013);(383.064,0.025);(383.086,0.038);(384.081,0.033);(395.078,0.016);(413.079,0.013);(414.075,0.014);(414.091,0.01);(431.098,0.116);(432.104,0.059);(433.092,0.019);(448.099,0.034);(449.107,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(85.03,0.013);(109.026,0.014);(134.036,0.021);(165.023,0.011);(170.031,0.013);(178.032,0.014);(215.874,0.011);(216.07,0.011);(246.058,0.016);(261.055,0.012);(269.035,0.012);(270.055,0.02);(276.229,0.01);(283.052,0.026);(283.07,0.014);(284.087,0.013);(286.04,0.013);(287.044,0.046);(287.069,0.034);(288.062,0.053);(290.069,0.013);(297.081,0.028);(298.078,0.023);(298.094,0.01);(299.024,0.014);(299.055,1.0);(300.058,0.431);(301.062,0.017);(301.072,0.038);(308.505,0.012);(311.041,0.047);(311.057,0.067);(311.076,0.021);(311.096,0.028);(312.055,0.028);(312.1,0.023);(313.068,0.018);(314.073,0.011);(315.039,0.01);(321.076,0.016);(324.04,0.011);(324.066,0.025);(324.074,0.011);(325.041,0.041);(325.067,0.193);(325.078,0.092);(326.03,0.01);(326.059,0.028);(326.077,0.118);(326.089,0.036);(327.047,0.013);(327.062,0.013);(329.066,0.426);(330.067,0.377);(330.088,0.028);(331.074,0.043);(331.089,0.031);(336.073,0.014);(338.073,0.017);(338.093,0.016);(339.047,0.017);(339.073,0.088);(339.086,0.164);(340.05,0.013);(340.086,0.042);(340.103,0.041);(341.081,0.012);(342.086,0.019);(348.044,0.012);(349.057,0.017);(349.069,0.046);(350.071,0.016);(350.082,0.023);(352.039,0.015);(352.103,0.01);(353.066,0.155);(354.07,0.165);(354.084,0.042);(355.079,0.052);(365.056,0.039);(365.072,0.105);(366.065,0.031);(367.068,0.03);(367.093,0.052);(368.086,0.024);(377.066,0.137);(378.079,0.014);(384.084,0.014);(395.075,0.057);(395.089,0.016);(396.072,0.012);(396.091,0.038);(414.084,0.014)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(80.061,0.019);(82.046,0.032);(85.028,0.016);(92.065,0.023);(93.032,0.017);(95.011,0.026);(95.022,0.022);(96.054,0.016);(96.063,0.028);(96.155,0.017);(102.303,0.021);(103.052,0.016);(104.294,0.019);(105.032,0.085);(107.017,0.037);(109.029,0.097);(110.035,0.021);(111.041,0.022);(117.034,0.028);(119.054,0.019);(121.026,0.116);(121.065,0.021);(122.04,0.101);(122.998,0.021);(123.004,0.046);(123.013,0.028);(124.01,0.051);(125.008,0.031);(132.055,0.019);(134.027,0.05);(134.037,0.047);(135.042,0.31);(136.049,0.062);(137.01,0.019);(137.024,0.339);(138.023,0.061);(138.03,0.019);(140.042,0.028);(141.066,0.025);(143.014,0.051);(145.061,0.018);(146.032,0.023);(146.981,0.03);(147.027,0.035);(147.042,0.068);(148.05,0.035);(149.02,0.137);(149.028,0.16);(150.027,0.063);(150.035,0.03);(153.026,0.039);(154.03,0.016);(155.093,0.016);(158.034,0.018);(159.049,0.037);(160.051,0.024);(160.062,0.026);(161.021,0.179);(162.018,0.017);(162.032,0.02);(162.039,0.016);(163.026,0.041);(163.034,0.054);(163.041,0.018);(164.016,0.034);(164.046,0.018);(164.057,0.023);(164.994,0.041);(165.019,1.0);(165.996,0.028);(166.007,0.022);(166.022,0.381);(166.043,0.038);(167.029,0.138);(167.034,0.065);(171.42,0.027);(173.023,0.016);(175.502,0.029);(176.067,0.027);(177.019,0.086);(177.05,0.02);(177.06,0.028);(178.028,0.061);(179.035,0.042);(179.078,0.02);(179.09,0.018);(179.999,0.02);(180.007,0.028);(180.042,0.037);(180.057,0.016);(180.077,0.017);(180.992,0.029);(181.013,0.034);(181.071,0.028);(186.348,0.021);(187.039,0.094);(188.044,0.034);(188.948,0.017);(189.016,0.037);(189.023,0.061);(189.06,0.047);(190.028,0.047);(190.071,0.017);(190.999,0.039);(191.02,0.028);(191.03,0.055);(191.046,0.017);(191.079,0.025);(192.01,0.022);(192.041,0.032);(193.676,0.04);(196.039,0.06);(199.042,0.017);(202.058,0.028);(203.036,0.06);(204.084,0.039);(206.061,0.031);(209.066,0.039);(214.071,0.02);(215.028,0.042);(215.038,0.047);(215.062,0.027);(215.205,0.017);(216.047,0.03);(219.022,0.032);(225.051,0.029);(226.058,0.047);(226.067,0.025);(228.08,0.023);(229.012,0.02);(231.038,0.016);(232.026,0.026);(235.077,0.033);(237.048,0.024);(238.596,0.027);(239.034,0.036);(240.099,0.018);(240.505,0.017);(241.051,0.017);(242.056,0.016);(243.064,0.043);(243.074,0.015);(243.484,0.019);(244.046,0.02);(244.074,0.025);(245.047,0.065);(247.053,0.024);(252.074,0.024);(253.029,0.023);(254.047,0.032);(255.073,0.018);(256.07,0.024);(258.041,0.02);(258.048,0.052);(258.061,0.019);(259.057,0.016);(261.207,0.027);(269.075,0.024);(270.053,0.018);(271.048,0.018);(271.064,0.044);(271.989,0.032);(272.071,0.035);(278.069,0.035);(281.048,0.016);(282.091,0.04);(283.054,0.121);(283.105,0.017);(284.053,0.065);(284.068,0.124);(284.411,0.027);(285.069,0.021);(286.011,0.022);(286.049,0.052);(286.06,0.037);(287.038,0.018);(287.056,0.065);(288.066,0.039);(288.105,0.025);(289.051,0.026);(293.038,0.052);(295.067,0.102);(296.073,0.027);(297.071,0.069);(297.087,0.02);(298.075,0.051);(298.348,0.016);(299.046,0.222);(299.06,0.555);(299.08,0.057);(300.013,0.023);(300.046,0.067);(300.067,0.497);(301.029,0.018);(301.053,0.04);(301.069,0.201);(302.076,0.044);(303.081,0.018);(303.215,0.028);(303.605,0.018);(308.06,0.026);(308.071,0.03);(310.101,0.051);(311.059,0.057);(311.095,0.022);(312.057,0.099);(312.072,0.03);(312.106,0.02);(313.072,0.029);(313.089,0.019);(314.065,0.017);(319.06,0.023);(321.08,0.055);(324.056,0.022);(324.066,0.023);(325.038,0.02);(325.074,0.238);(326.054,0.018);(326.071,0.064);(327.084,0.056);(329.053,0.017);(329.162,0.035);(337.057,0.027);(339.089,0.067);(340.091,0.02);(341.117,0.026);(349.055,0.019);(353.061,0.027);(353.075,0.017);(361.885,0.056);(368.083,0.034)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(57.035,0.015);(85.029,0.022);(131.054,0.01);(137.031,0.01);(147.041,0.016);(150.034,0.017);(165.013,0.019);(165.025,0.011);(168.025,0.018);(177.022,0.018);(178.018,0.016);(182.445,0.01);(185.16,0.021);(188.051,0.015);(191.001,0.014);(203.027,0.011);(204.052,0.014);(212.036,0.013);(215.026,0.015);(216.035,0.016);(245.036,0.011);(258.064,0.01);(258.918,0.013);(263.032,0.011);(265.145,0.015);(269.044,0.013);(269.064,0.011);(270.059,0.027);(270.094,0.012);(271.056,0.022);(283.004,0.012);(283.055,0.025);(283.071,0.048);(284.061,0.011);(286.046,0.014);(287.025,0.019);(287.051,0.036);(288.051,0.024);(288.065,0.028);(291.574,0.018);(292.689,0.01);(295.066,0.035);(296.067,0.013);(297.068,0.086);(297.086,0.048);(298.052,0.023);(298.083,0.022);(299.054,0.947);(299.082,0.022);(300.051,0.19);(300.062,0.428);(300.119,0.01);(301.061,0.132);(311.064,0.02);(311.087,0.011);(312.057,0.078);(313.076,0.027);(316.056,0.011);(321.077,0.012);(323.058,0.012);(323.591,0.01);(323.901,0.015);(324.029,0.011);(324.062,0.032);(325.04,0.021);(325.053,0.067);(325.069,0.145);(326.06,0.019);(326.077,0.111);(326.096,0.012);(327.028,0.019);(327.045,0.021);(327.055,0.019);(327.072,0.011);(327.083,0.01);(327.309,0.017);(329.066,0.623);(330.074,0.335);(331.044,0.014);(331.062,0.023);(331.08,0.043);(332.073,0.03);(336.177,0.01);(337.044,0.013);(337.067,0.059);(339.005,0.012);(339.056,0.012);(339.078,0.031);(339.096,0.124);(340.058,0.021);(340.09,0.029);(341.086,0.013);(341.105,0.026);(342.804,0.015);(346.427,0.029);(349.057,0.022);(351.054,0.012);(352.052,0.014);(352.073,0.013);(353.061,0.316);(353.099,0.023);(354.021,0.017);(354.045,0.015);(354.06,0.053);(354.073,0.18);(354.083,0.094);(355.074,0.023);(356.028,0.014);(365.061,0.107);(365.075,0.026);(366.048,0.012);(366.077,0.086);(367.062,0.034);(367.09,0.01);(368.033,0.011);(368.091,0.011);(370.059,0.01);(377.025,0.018);(377.058,0.092);(377.082,0.015);(377.45,0.014);(378.043,0.011);(378.074,0.095);(379.058,0.016);(383.077,0.169);(383.902,0.014);(384.075,0.13);(384.102,0.011);(385.082,0.063);(386.077,0.016);(395.057,0.046);(395.077,0.217);(396.081,0.1);(397.083,0.05);(413.061,0.024);(413.085,0.125);(413.11,0.034);(414.084,0.054);(414.506,0.019);(415.088,0.049);(426.742,0.011);(431.09,0.404);(431.194,0.01);(432.069,0.039);(432.09,0.059);(432.108,0.035);(432.128,0.01);(433.101,0.033);(433.123,0.014);(433.361,0.016);(434.133,0.014);(446.901,0.01);(447.379,0.01);(448.091,0.032);(448.127,0.015);(449.077,0.048);(449.107,1.0)
LC-MS/MSLC-ESI-QTOFPositivelowView Spectrum(299.049,0.011);(299.06,0.014);(329.054,0.011);(329.066,0.035);(330.073,0.01);(353.053,0.017);(353.072,0.013);(354.059,0.011);(354.074,0.025);(383.073,0.07);(384.077,0.025);(395.077,0.029);(413.086,0.021);(414.087,0.011);(414.101,0.016);(431.095,0.095);(431.115,0.027);(432.089,0.025);(432.109,0.049);(433.105,0.023);(447.095,0.01);(448.099,0.044);(449.048,0.01);(449.109,1.0)
LC-MS/MSLC-ESI-QTOFPositivemediumView Spectrum(85.028,0.021);(109.03,0.047);(138.024,0.016);(138.03,0.014);(149.027,0.013);(153.013,0.012);(187.266,0.012);(205.058,0.024);(215.042,0.016);(216.02,0.014);(220.813,0.01);(230.044,0.012);(247.032,0.01);(256.074,0.043);(258.052,0.011);(270.044,0.023);(270.056,0.025);(271.067,0.011);(271.745,0.015);(272.029,0.011);(281.093,0.012);(282.065,0.01);(283.054,0.021);(283.07,0.022);(284.069,0.011);(286.041,0.016);(287.038,0.016);(287.057,0.042);(287.073,0.016);(288.073,0.015);(297.054,0.01);(297.071,0.037);(297.082,0.016);(298.035,0.024);(298.077,0.028);(298.089,0.024);(298.106,0.013);(299.026,0.021);(299.055,1.0);(300.023,0.025);(300.062,0.743);(301.065,0.094);(307.072,0.013);(307.201,0.011);(310.077,0.01);(311.059,0.036);(311.076,0.019);(311.09,0.032);(312.057,0.036);(313.072,0.024);(314.046,0.01);(314.071,0.026);(314.089,0.011);(321.074,0.021);(321.085,0.028);(322.103,0.01);(323.046,0.01);(324.07,0.036);(325.038,0.018);(325.07,0.252);(326.07,0.058);(326.082,0.107);(326.096,0.034);(327.086,0.03);(328.039,0.01);(329.036,0.027);(329.067,0.672);(329.143,0.012);(330.062,0.128);(330.075,0.394);(331.073,0.038);(331.087,0.031);(332.068,0.01);(336.06,0.022);(336.074,0.01);(338.084,0.023);(338.102,0.01);(339.081,0.143);(339.095,0.071);(340.089,0.143);(341.084,0.016);(341.097,0.012);(341.547,0.013);(349.057,0.022);(349.071,0.024);(349.091,0.012);(350.076,0.015);(350.096,0.012);(351.088,0.018);(352.095,0.01);(353.043,0.015);(353.064,0.125);(353.08,0.063);(354.071,0.07);(354.083,0.102);(355.062,0.029);(355.083,0.029);(356.069,0.021);(365.048,0.031);(365.07,0.187);(366.032,0.028);(366.059,0.048);(366.076,0.043);(367.078,0.05);(368.093,0.02);(371.066,0.021);(377.065,0.095);(377.078,0.033);(378.08,0.044);(395.069,0.062);(396.075,0.02);(396.087,0.017);(413.052,0.014);(414.081,0.015);(414.111,0.01);(415.097,0.016)
LC-MS/MSLC-ESI-QTOFPositivehighView Spectrum(68.064,0.036);(68.995,0.075);(79.057,0.03);(81.028,0.024);(81.035,0.025);(82.039,0.027);(84.115,0.027);(91.057,0.027);(92.062,0.059);(93.027,0.033);(93.035,0.058);(95.051,0.026);(104.061,0.033);(106.039,0.041);(106.284,0.025);(109.027,0.072);(111.047,0.06);(120.286,0.024);(121.03,0.041);(121.061,0.033);(123.006,0.177);(123.037,0.039);(124.016,0.051);(128.071,0.039);(134.04,0.036);(135.034,0.07);(135.049,0.16);(137.025,0.11);(138.031,0.057);(147.036,0.033);(148.015,0.028);(148.05,0.021);(148.786,0.02);(148.996,0.059);(149.013,0.114);(149.024,0.238);(150.031,0.116);(153.017,0.06);(153.073,0.038);(154.884,0.02);(154.961,0.02);(159.038,0.043);(160.986,0.032);(161.021,0.046);(163.039,0.14);(164.037,0.103);(164.046,0.073);(164.999,0.043);(165.021,1.0);(165.049,0.028);(166.024,0.59);(166.16,0.023);(167.026,0.02);(168.054,0.025);(169.029,0.03);(169.063,0.039);(171.619,0.036);(174.328,0.021);(176.014,0.026);(177.02,0.069);(177.062,0.045);(178.025,0.027);(179.026,0.032);(179.039,0.044);(180.025,0.03);(185.072,0.046);(186.067,0.021);(187.04,0.137);(188.04,0.025);(188.05,0.069);(189.0,0.028);(189.022,0.032);(189.059,0.028);(190.022,0.052);(190.059,0.024);(190.993,0.032);(191.021,0.028);(191.034,0.13);(191.043,0.028);(192.032,0.027);(194.013,0.027);(195.007,0.033);(197.058,0.026);(203.039,0.059);(205.051,0.027);(210.068,0.063);(213.052,0.031);(216.039,0.034);(218.054,0.039);(224.038,0.032);(229.017,0.043);(229.093,0.027);(230.058,0.034);(243.051,0.025);(243.063,0.127);(244.024,0.02);(244.063,0.032);(245.05,0.03);(245.062,0.037);(252.066,0.05);(253.05,0.036);(253.06,0.03);(254.063,0.041);(255.034,0.044);(255.069,0.025);(256.067,0.04);(257.036,0.025);(258.062,0.027);(259.062,0.025);(263.044,0.058);(266.05,0.02);(268.09,0.025);(269.048,0.024);(270.033,0.024);(270.05,0.057);(270.061,0.02);(271.043,0.071);(271.053,0.058);(271.08,0.04);(271.859,0.039);(272.052,0.026);(272.063,0.108);(272.072,0.052);(273.036,0.028);(273.06,0.041);(273.069,0.027);(276.069,0.03);(282.054,0.026);(283.035,0.02);(283.056,0.273);(284.055,0.117);(284.072,0.024);(285.026,0.031);(285.045,0.095);(285.071,0.053);(286.045,0.037);(286.055,0.021);(287.04,0.034);(287.051,0.077);(287.07,0.034);(294.051,0.043);(295.021,0.034);(295.056,0.055);(296.072,0.073);(296.82,0.026);(297.061,0.026);(297.085,0.02);(298.063,0.025);(298.085,0.072);(298.868,0.027);(299.046,0.474);(299.058,0.379);(300.061,0.438);(300.082,0.031);(301.059,0.212);(301.074,0.03);(302.069,0.036);(303.834,0.023);(309.078,0.039);(311.055,0.124);(311.078,0.068);(312.063,0.134);(313.065,0.047);(313.084,0.026);(321.066,0.07);(322.082,0.039);(322.866,0.02);(323.058,0.058);(324.042,0.024);(324.051,0.056);(324.068,0.03);(325.056,0.03);(325.075,0.19);(326.046,0.063);(326.081,0.05);(327.097,0.024);(329.072,0.02);(333.598,0.024);(337.05,0.025);(337.061,0.039);(339.068,0.041);(349.059,0.041);(373.104,0.027);(380.449,0.021)
LC-MS/MS ESI- LC-Q-TOF/MSPositivelowView Spectrum(165.0206,0.291);(299.0578,0.999);(325.0733,0.212);(329.0685,0.651);(339.0889,0.164);(353.0686,0.35);(383.0782,0.192);(395.0799,0.182);(413.0903,0.165);(431.1002,0.194);(449.1084,0.407)
LC-MS/MS ESI- LC-Q-TOF/MSNegativelowView Spectrum(133.0302,0.306);(163.0047,0.072);(175.0408,0.064);(284.035,0.126);(285.0431,0.241);(297.0429,0.404);(298.051,0.305);(299.0592,0.249);(311.0582,0.11);(327.053,0.999);(339.0535,0.131);(357.0641,0.784);(429.0859,0.109);(447.0928,0.949)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(91.03951908,0.6261455152);(109.0289544,1.600546434);(111.0446045,0.5330195163);(121.0500838,0.6110200658);(145.0500838,0.6246144829);(147.0657338,0.3936574246);(159.0293483,0.6429457413);(163.0606485,2.815406957);(165.0762985,0.4576392518);(285.039913,3.289840135);(287.0555631,0.9825304451);(297.039913,0.989549171);(299.0555631,0.4185785333);(313.0348276,1.473275375);(315.0504777,1.010866421);(315.0716071,0.4289485448);(339.0716071,0.7611866063);(345.0610424,0.6451744682);(373.055957,0.8223867234);(375.0716071,1.129156146);(387.0716071,0.5872861172);(389.0872571,0.5732470645);(405.0821717,0.5604347261);(407.0978218,0.3749537319);(413.0872571,2.542878759);(417.0821717,0.8633496773);(419.0978218,0.4158878723);(419.0978218,0.7969853793);(431.0978218,0.5562409194);(431.0978218,25.98357882);(449.1083865,46.48866898)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(43.01838972,6.30680232);(45.03403978,2.555754914);(47.04968984,0.7832473377);(55.01838972,1.70876302);(57.03403978,0.7516558853);(71.01330434,0.8387679798);(73.0289544,2.742313967);(75.04460446,1.398350356);(85.0289544,0.6922308069);(103.0395191,1.024094717);(109.0289544,2.256182844);(111.0446045,1.166261173);(145.0500838,5.915791021);(163.0606485,8.204146975);(285.039913,1.180454436);(287.0555631,0.9494350777);(297.039913,6.438380477);(299.0555631,2.542751473);(313.0348276,1.235081125);(315.0504777,1.885036569);(321.0610424,0.8703366753);(327.0504777,0.6712720272);(339.0716071,1.362545961);(387.0716071,0.783931664);(389.0872571,0.8107629526);(401.0872571,1.613735867);(413.0872571,8.60087417);(417.0821717,1.113453022);(419.0978218,3.176365383);(431.0978218,19.24215984);(449.1083865,11.17905996)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(43.01838972,3.212798614);(45.03403978,1.293240818);(56.99765427,1.750851758);(59.01330434,5.330122368);(61.0289544,1.607309668);(73.0289544,1.654830234);(87.00821896,2.064912575);(89.02386902,2.542251628);(109.0289544,6.44277091);(135.008219,1.952863422);(137.023869,1.662771291);(147.0657338,2.014237112);(205.0136983,2.896014305);(255.0293483,2.991845374);(285.039913,6.915903149);(287.0555631,1.393600751);(295.0242629,5.300105201);(297.039913,8.498297031);(299.0555631,4.500022951);(301.0712131,2.268597188);(313.0348276,10.78846866);(315.0504777,3.218016846);(317.0661278,1.377739656);(321.0610424,1.479450225);(321.0974279,2.828048374);(323.1130779,2.649341904);(359.0766924,2.182990316);(369.0610424,1.576970789);(407.0978218,1.498988824);(413.0872571,2.77287646);(431.0978218,3.333761599)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(41.00273965,0.409420993);(43.01838972,1.417653814);(45.03403978,0.6545465981);(59.01330434,0.8881856753);(71.01330434,0.3923324101);(73.0289544,1.1072602);(85.0289544,0.5372131775);(89.02386902,1.78795087);(103.0395191,0.9358947714);(109.0289544,1.197955043);(119.0344337,1.33280297);(121.0500838,0.3860707771);(133.0500838,0.5469595875);(161.0449984,0.5880234481);(163.0606485,0.4734292199);(285.039913,7.232513293);(297.039913,0.7061459879);(313.0348276,2.559275471);(313.055957,0.4213539442);(327.0504777,2.9897118);(343.0453923,1.655924383);(357.0610424,1.084104499);(373.055957,1.437141771);(387.0716071,1.833409758);(387.0716071,0.5085666032);(415.0665217,0.6725490138);(415.0665217,0.4638770853);(417.0821717,2.831029842);(417.0821717,1.757647947);(429.0821717,10.00430073);(447.0927364,51.18674831)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(41.00273965,1.797213725);(43.01838972,6.437815953);(45.03403978,1.96394749);(59.01330434,4.457473919);(71.01330434,2.160406263);(73.0289544,9.226428795);(85.0289544,1.203067139);(87.04460446,1.800409274);(89.02386902,1.150249901);(101.023869,1.487554227);(103.0395191,3.761983801);(133.0500838,1.404444795);(145.0500838,1.530058713);(161.0449984,1.443877756);(163.0606485,1.466336986);(285.039913,8.329914859);(297.039913,3.088200703);(313.0348276,4.159202577);(325.0348276,1.592814018);(327.0504777,6.045539009);(355.0453923,1.944470427);(357.0610424,1.06455739);(357.0610424,3.790887973);(359.0766924,1.559746832);(387.0716071,1.926904821);(387.0716071,1.213440622);(417.0821717,1.52516922);(417.0821717,2.212460603);(429.0821717,1.121955537);(429.0821717,8.554047811);(447.0927364,10.57941886)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(41.00273965,4.263268167);(43.01838972,16.10649489);(45.03403978,3.046951082);(56.99765427,1.411702267);(59.01330434,10.43313732);(71.01330434,2.058144377);(73.0289544,3.218059214);(89.02386902,1.626189196);(107.0133043,1.719935445);(109.0289544,1.215042037);(131.0344337,5.25085354);(133.0289544,1.220582468);(135.008219,1.481029869);(145.0500838,1.967422417);(149.023869,6.145297914);(179.0344337,1.962737479);(215.0344337,2.168090408);(243.0293483,3.016323018);(267.0293483,1.349264564);(285.039913,8.291991485);(297.039913,3.657241166);(299.0555631,2.092956432);(313.0348276,3.628096454);(327.0504777,1.933729061);(329.0661278,1.509230066);(343.0453923,1.626384401);(345.0610424,1.737306843);(359.0766924,1.595295261);(387.0716071,1.46192948);(405.0821717,1.201679431);(429.0821717,1.603634249)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(449.10783,100.0)
Predicted LC-MS/MSNot AvailablePositivemediumView Spectrum(449.10783,100.0)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(135.04405,45.0);(139.03897,14.0);(315.07105,100.0);(317.0867,21.0);(375.10744,23.0);(403.10235,15.0);(449.10783,85.0)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(447.09328,100.0)
Predicted LC-MS/MSNot AvailableNegativemediumView Spectrum(403.10345,4.0);(447.09328,100.0)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(175.04006,100.0);(201.05571,22.0);(211.04006,8.0);(269.06667,30.0);(313.0565,56.0);(379.10345,6.0);(403.10345,13.0);(447.09328,38.0)

Food Sources

NameGroup
Rooibos teaBeverages, Non-alcoholic PublicationsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
Isoorientin Isoorientinraturineunchanged<1h>20µmol/LNo dataC21H20O11448.100561464 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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