PhytoHub: Showing entry for Formononetin

Formononetin

Identification

PhytoHub ID

PHUB000224

Name

Formononetin

Systematic Name

Not Available

Synonyms

4'-Methyldaidzein
7-Hydroxy-4'-methoxyisoflavone
Biochanin B
Neochanin
Pratol

CAS Number

Not Available

Average Mass

268.268

Monoisotopic Mass

268.073558866

Chemical Formula

C₁₆H₁₂O₄

IUPAC Name

7-hydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one

InChI Key

HKQYGTCOTHHOMP-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C16H12O4/c1-19-12-5-2-10(3-6-12)14-9-20-15-8-11(17)4-7-13(15)16(14)18/h2-9,17H,1H3

SMILES

COC1=CC=C(C=C1)C1=COC2=C(C=CC(O)=C2)C1=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 4.02e-02 g/l
LogS (ALOGPS): -3.82
LogP (ALOGPS): 3.56
Hydrogen Acceptors: 4
Hydrogen Donors: 1
Rotatable Bond Count: 2
Polar Surface Area: 55.76
Refractivity: 74.18430000000001
Polarizability: 27.843678310293292
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -4.71378120136908
pKa (strongest acidic): 6.478252867302431
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Flavonoids
Sub-class: Isoflavones

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Isoflavonoids
Super-class: Phenylpropanoids and polyketides
Sub-class: O-methylated isoflavonoids
Direct Parent Name: 4'-O-methylisoflavones
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Chromones", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Hydroxyisoflavonoids", "Isoflavones", "Methoxybenzenes", "Organic oxides", "Oxacyclic compounds", "Phenoxy compounds", "Pyranones and derivatives"]
External Descriptor Annotations: ["7-hydroxyisoflavones", "Isoflavonoids", "a 4'-methoxyisoflavone", "isoflavones", "methoxyisoflavone"]
Substituent Names: ["1-benzopyran", "1-hydroxy-2-unsubstituted benzenoid", "4p-o-methylisoflavone", "Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Benzenoid", "Benzopyran", "Chromone", "Ether", "Heteroaromatic compound", "Hydrocarbon derivative", "Hydroxyisoflavonoid", "Isoflavone", "Methoxybenzene", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organoheterocyclic compound", "Organooxygen compound", "Oxacycle", "Phenol ether", "Phenoxy compound", "Pyran", "Pyranone"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,4.204204);(86.0,2.502503);(87.0,4.504505);(88.0,4.304304);(89.0,80.980981);(90.0,8.908909);(91.0,19.51952);(92.0,3.703704);(93.0,7.907908);(94.0,1.401401);(95.0,6.606607);(96.0,1.601602);(97.0,2.302302);(98.0,2.102102);(99.0,11.911912);(100.0,2.302302);(101.0,3.403403);(102.0,9.50951);(103.0,4.504505);(104.0,2.802803);(105.0,7.807808);(106.0,3.503504);(107.0,5.705706);(108.0,1.801802);(109.0,6.806807);(110.0,1.601602);(111.0,2.902903);(112.0,3.803804);(113.0,4.704705);(114.0,2.402402);(115.0,2.402402);(116.0,1.801802);(117.0,36.736737);(118.0,4.304304);(119.0,16.616617);(120.0,3.203203);(121.0,14.414414);(122.0,2.602603);(123.0,1.701702);(124.0,0.700701);(125.0,2.002002);(126.0,6.006006);(127.0,7.807808);(128.0,1.801802);(129.0,0.700701);(130.0,0.3003);(131.0,1.201201);(132.0,90.29029);(133.0,14.014014);(134.0,3.403403);(135.0,5.305305);(136.0,1.801802);(137.0,13.813814);(138.0,3.003003);(139.0,8.908909);(140.0,7.407407);(141.0,23.723724);(142.0,2.202202);(143.0,0.4004);(144.0,0.3003);(145.0,1.001001);(146.0,0.500501);(147.0,16.216216);(148.0,4.504505);(149.0,8.908909);(150.0,6.106106);(151.0,7.907908);(152.0,20.520521);(153.0,4.204204);(154.0,1.401401);(155.0,3.603604);(156.0,0.600601);(157.0,0.3003);(158.0,0.1001);(159.0,0.600601);(160.0,0.2002);(161.0,2.702703);(162.0,7.107107);(163.0,12.112112);(164.0,3.703704);(165.0,11.911912);(166.0,5.105105);(167.0,2.402402);(168.0,3.803804);(169.0,1.801802);(170.0,1.501502);(171.0,0.4004);(172.0,0.1001);(173.0,0.1001);(174.0,0.1001);(175.0,1.301301);(176.0,1.101101);(177.0,1.801802);(178.0,2.702703);(179.0,6.806807);(180.0,8.608609);(181.0,3.303303);(182.0,1.101101);(183.0,1.901902);(184.0,0.4004);(185.0,0.800801);(186.0,0.2002);(187.0,0.2002);(188.0,0.1001);(189.0,0.500501);(190.0,0.3003);(191.0,0.900901);(192.0,1.401401);(193.0,12.012012);(194.0,3.303303);(195.0,4.704705);(196.0,2.002002);(197.0,1.301301);(198.0,0.4004);(199.0,0.4004);(200.0,0.2002);(201.0,0.1001);(202.0,0.1001);(203.0,0.2002);(205.0,0.500501);(206.0,0.700701);(207.0,1.901902);(208.0,22.022022);(209.0,6.006006);(210.0,1.801802);(211.0,3.503504);(212.0,0.700701);(213.0,0.600601);(214.0,0.2002);(215.0,0.1001);(219.0,0.600601);(220.0,0.3003);(221.0,1.301301);(222.0,1.001001);(223.0,2.302302);(224.0,1.501502);(225.0,3.203203);(226.0,1.301301);(227.0,0.4004);(228.0,0.1001);(233.0,0.1001);(234.0,0.2002);(235.0,1.101101);(236.0,1.701702);(237.0,2.802803);(238.0,1.501502);(239.0,4.404404);(240.0,1.401401);(241.0,0.700701);(242.0,0.2002);(243.0,0.1001);(249.0,0.4004);(250.0,0.800801);(251.0,2.702703);(252.0,1.201201);(253.0,5.105105);(254.0,2.602603);(255.0,0.700701);(256.0,0.3003);(257.0,0.1001);(263.0,0.1001);(264.0,0.1001);(265.0,0.4004);(266.0,0.800801);(267.0,4.404404);(268.0,1.601602);(269.0,6.706707);(270.0,1.801802);(271.0,0.500501);(272.0,0.1001);(279.0,0.2002);(280.0,0.2002);(281.0,1.801802);(282.0,5.605606);(283.0,2.402402);(284.0,0.700701);(285.0,0.1001);(293.0,0.4004);(294.0,0.2002);(295.0,0.600601);(296.0,0.700701);(297.0,2.802803);(298.0,1.001001);(299.0,0.2002);(307.0,0.1001);(308.0,0.1001);(309.0,1.301301);(310.0,3.003003);(311.0,1.501502);(312.0,1.201201);(313.0,0.3003);(314.0,0.1001);(322.0,0.1001);(323.0,0.500501);(324.0,3.103103);(325.0,38.638639);(326.0,11.111111);(327.0,3.103103);(328.0,0.500501);(329.0,0.1001);(331.0,0.1001);(332.0,0.1001);(333.0,0.1001);(334.0,0.1001);(335.0,0.1001);(336.0,0.1001);(337.0,0.4004);(338.0,2.602603);(339.0,42.842843);(340.0,100.0);(341.0,28.228228);(342.0,7.507508);(343.0,1.301301);(344.0,0.2002)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,4.204204);(86.0,2.502503);(87.0,4.504505);(88.0,4.304304);(89.0,80.980981);(90.0,8.908909);(91.0,19.51952);(92.0,3.703704);(93.0,7.907908);(94.0,1.401401);(95.0,6.606607);(96.0,1.601602);(97.0,2.302302);(98.0,2.102102);(99.0,11.911912);(100.0,2.302302);(101.0,3.403403);(102.0,9.50951);(103.0,4.504505);(104.0,2.802803);(105.0,7.807808);(106.0,3.503504);(107.0,5.705706);(108.0,1.801802);(109.0,6.806807);(110.0,1.601602);(111.0,2.902903);(112.0,3.803804);(113.0,4.704705);(114.0,2.402402);(115.0,2.402402);(116.0,1.801802);(117.0,36.736737);(118.0,4.304304);(119.0,16.616617);(120.0,3.203203);(121.0,14.414414);(122.0,2.602603);(123.0,1.701702);(124.0,0.700701);(125.0,2.002002);(126.0,6.006006);(127.0,7.807808);(128.0,1.801802);(129.0,0.700701);(130.0,0.3003);(131.0,1.201201);(132.0,90.29029);(133.0,14.014014);(134.0,3.403403);(135.0,5.305305);(136.0,1.801802);(137.0,13.813814);(138.0,3.003003);(139.0,8.908909);(140.0,7.407407);(141.0,23.723724);(142.0,2.202202);(143.0,0.4004);(144.0,0.3003);(145.0,1.001001);(146.0,0.500501);(147.0,16.216216);(148.0,4.504505);(149.0,8.908909);(150.0,6.106106);(151.0,7.907908);(152.0,20.520521);(153.0,4.204204);(154.0,1.401401);(155.0,3.603604);(156.0,0.600601);(157.0,0.3003);(158.0,0.1001);(159.0,0.600601);(160.0,0.2002);(161.0,2.702703);(162.0,7.107107);(163.0,12.112112);(164.0,3.703704);(165.0,11.911912);(166.0,5.105105);(167.0,2.402402);(168.0,3.803804);(169.0,1.801802);(170.0,1.501502);(171.0,0.4004);(172.0,0.1001);(173.0,0.1001);(174.0,0.1001);(175.0,1.301301);(176.0,1.101101);(177.0,1.801802);(178.0,2.702703);(179.0,6.806807);(180.0,8.608609);(181.0,3.303303);(182.0,1.101101);(183.0,1.901902);(184.0,0.4004);(185.0,0.800801);(186.0,0.2002);(187.0,0.2002);(188.0,0.1001);(189.0,0.500501);(190.0,0.3003);(191.0,0.900901);(192.0,1.401401);(193.0,12.012012);(194.0,3.303303);(195.0,4.704705);(196.0,2.002002);(197.0,1.301301);(198.0,0.4004);(199.0,0.4004);(200.0,0.2002);(201.0,0.1001);(202.0,0.1001);(203.0,0.2002);(205.0,0.500501);(206.0,0.700701);(207.0,1.901902);(208.0,22.022022);(209.0,6.006006);(210.0,1.801802);(211.0,3.503504);(212.0,0.700701);(213.0,0.600601);(214.0,0.2002);(215.0,0.1001);(219.0,0.600601);(220.0,0.3003);(221.0,1.301301);(222.0,1.001001);(223.0,2.302302);(224.0,1.501502);(225.0,3.203203);(226.0,1.301301);(227.0,0.4004);(228.0,0.1001);(233.0,0.1001);(234.0,0.2002);(235.0,1.101101);(236.0,1.701702);(237.0,2.802803);(238.0,1.501502);(239.0,4.404404);(240.0,1.401401);(241.0,0.700701);(242.0,0.2002);(243.0,0.1001);(249.0,0.4004);(250.0,0.800801);(251.0,2.702703);(252.0,1.201201);(253.0,5.105105);(254.0,2.602603);(255.0,0.700701);(256.0,0.3003);(257.0,0.1001);(263.0,0.1001);(264.0,0.1001);(265.0,0.4004);(266.0,0.800801);(267.0,4.404404);(268.0,1.601602);(269.0,6.706707);(270.0,1.801802);(271.0,0.500501);(272.0,0.1001);(279.0,0.2002);(280.0,0.2002);(281.0,1.801802);(282.0,5.605606);(283.0,2.402402);(284.0,0.700701);(285.0,0.1001);(293.0,0.4004);(294.0,0.2002);(295.0,0.600601);(296.0,0.700701);(297.0,2.802803);(298.0,1.001001);(299.0,0.2002);(307.0,0.1001);(308.0,0.1001);(309.0,1.301301);(310.0,3.003003);(311.0,1.501502);(312.0,1.201201);(313.0,0.3003);(314.0,0.1001);(322.0,0.1001);(323.0,0.500501);(324.0,3.103103);(325.0,38.638639);(326.0,11.111111);(327.0,3.103103);(328.0,0.500501);(329.0,0.1001);(331.0,0.1001);(332.0,0.1001);(333.0,0.1001);(334.0,0.1001);(335.0,0.1001);(336.0,0.1001);(337.0,0.4004);(338.0,2.602603);(339.0,42.842843);(340.0,100.0);(341.0,28.228228);(342.0,7.507508);(343.0,1.301301);(344.0,0.2002)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(94.04131312,3.842378069);(95.04913772,1.609451194);(106.0413131,1.64711512);(120.020578,3.210047082);(121.0284026,2.148003598);(122.0362272,3.823852762);(123.0440518,1.555630191);(131.0491377,1.301526427);(132.0569623,2.767834887);(133.0647869,2.29125647);(136.0154921,1.387650359);(146.0362272,1.96962405);(147.0440518,1.438718741);(148.0518764,2.691205618);(149.059701,1.929570653);(162.0311413,1.173309579);(200.0467905,1.51823573);(224.0467905,2.347439729);(225.0546151,5.176073004);(226.0624397,1.316827621);(238.0624397,8.239020856);(239.0658265,1.405030591);(239.0702643,5.910531567);(240.0417046,1.57224804);(240.0780889,17.03184981);(241.0814808,2.90961444);(250.0624397,2.602293914);(251.0702643,2.654548665);(267.0651784,2.031777525);(268.073003,8.877969434);(269.0763944,1.619364269)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,6.891260913);(131.0491377,1.071987428);(132.0569623,1.699215623);(133.0647869,1.58302845);(147.0440518,0.8259973948);(148.0518764,0.7745827883);(149.0417139,1.262140608);(149.059701,1.185440544);(164.0651877,0.8071639718);(165.036628,1.596832846);(165.0730123,1.00032715);(166.0808369,0.7679501087);(180.0601018,0.9131585035);(181.0679264,1.007510633);(194.075751,0.8052776005);(226.0624397,1.098540576);(227.0702643,1.325947538);(238.0624397,1.358589084);(239.0702643,2.854013061);(267.0651784,1.678543229);(268.073003,2.424139352);(269.0808276,1.116379004);(297.0941389,3.143104399);(298.0967447,0.7688220694);(310.1019635,1.657899122);(311.1097881,0.8690343797);(312.1176127,1.960822144);(324.0812284,1.001142164);(325.089053,4.496950611);(326.091694,1.152005335);(340.1125268,1.703542366)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(94.04131312,1.882817318);(106.0413131,1.247629267);(120.020578,1.302406154);(120.0569623,1.310147469);(121.0284026,1.536945155);(122.0362272,1.836085371);(123.0440518,0.9589161832);(131.0491377,1.371106175);(132.0569623,2.103562978);(133.0647869,1.735542705);(136.0154921,1.051094231);(137.0233167,1.038190654);(146.0362272,1.041256686);(148.0518764,1.182323307);(162.0311413,0.8887389547);(200.0467905,1.363317021);(214.0624397,1.083480417);(224.0467905,2.135701195);(225.0546151,2.115757795);(226.0624397,1.218791481);(238.0624397,4.938109166);(239.0658265,0.8421139552);(239.0702643,3.325016886);(240.0417046,1.13067975);(240.0780889,8.699577125);(241.0814808,1.486181214);(250.0624397,1.421201777);(251.0702643,1.792366859);(267.0651784,1.538996925);(268.073003,7.345037237);(269.0763944,1.339753527)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0226,213.0);(135.0096,144.0);(167.0514,182.0);(168.0553,22.0);(180.0587,29.0);(195.0464,999.0);(196.0499,106.0);(223.0409,786.0);(224.0452,105.0);(251.0358,213.0);(252.0408,41.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0226,213.0);(135.0096,144.0);(167.0514,182.0);(168.0553,22.0);(180.0587,29.0);(195.0464,999.0);(196.0499,106.0);(223.0409,786.0);(224.0452,105.0);(251.0358,213.0);(252.0408,41.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0226,213.0);(135.0096,144.0);(167.0514,182.0);(168.0553,22.0);(180.0587,29.0);(195.0464,999.0);(196.0499,106.0);(223.0409,786.0);(224.0452,105.0);(251.0358,213.0);(252.0408,41.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0227,245.0);(135.0096,155.0);(167.0514,36.0);(195.0464,408.0);(196.0509,47.0);(208.0539,37.0);(223.0413,999.0);(224.0466,211.0);(251.0361,417.0);(252.0428,321.0);(253.0462,33.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0227,245.0);(135.0096,155.0);(167.0514,36.0);(195.0464,408.0);(196.0509,47.0);(208.0539,37.0);(223.0413,999.0);(224.0466,211.0);(251.0361,417.0);(252.0428,321.0);(253.0462,33.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0227,245.0);(135.0096,155.0);(167.0514,36.0);(195.0464,408.0);(196.0509,47.0);(208.0539,37.0);(223.0413,999.0);(224.0466,211.0);(251.0361,417.0);(252.0428,321.0);(253.0462,33.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0226,213.0);(135.0096,144.0);(167.0514,182.0);(168.0553,22.0);(180.0587,29.0);(195.0464,999.0);(196.0499,106.0);(223.0409,786.0);(224.0452,105.0);(251.0358,213.0);(252.0408,41.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0225,45.0);(135.0097,21.0);(195.0462,31.0);(223.0412,254.0);(224.0475,86.0);(251.036,167.0);(252.0437,999.0);(253.0467,106.0);(267.0664,23.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(252.0437,60.0);(267.0671,999.0);(268.0699,121.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(132.0227,245.0);(135.0096,155.0);(167.0514,36.0);(195.0464,408.0);(196.0509,47.0);(208.0539,37.0);(223.0413,999.0);(224.0466,211.0);(251.0361,417.0);(252.0428,321.0);(253.0462,33.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(223.0409,26.0);(251.0358,23.0);(252.0438,999.0);(253.0469,109.0);(267.0667,567.0);(268.07,54.0)
LC-MS/MS	ESI-TOF	Negative	Not Available	View Spectrum	(267.0679,999.0);(268.07,291.0);(269.0725,25.0);(535.1408,39.0)
LC-MS/MS	DI-ESI-qTof	Positive	Not Available	View Spectrum	(118.040558,7467.0);(128.061615,1471.0);(129.067566,941.0);(133.063217,2819.0);(136.013962,3266.0);(137.022537,7804.0);(141.067474,1963.0);(142.073639,692.0);(152.060745,3424.0);(153.068771,2687.0);(154.024414,2863.0);(155.071655,681.0);(156.05658,4802.0);(157.061905,2360.0);(158.072311,2269.0);(163.037674,1269.0);(165.067352,1247.0);(168.053513,733.0);(169.063889,5899.0);(170.070557,7406.0);(171.075363,1273.0);(180.055695,1455.0);(181.063568,10923.0);(182.071823,5289.0);(183.077789,1042.0);(184.052048,2168.0);(185.091705,1022.0);(195.081116,1770.0);(196.051437,1694.0);(197.059341,39301.0);(198.06662,15285.0);(199.07193,1450.0);(200.044922,2879.0);(208.052155,799.0);(209.057129,2584.0);(210.066956,1301.0);(211.072144,749.0);(212.080521,740.0);(213.090988,25972.0);(214.094223,2997.0);(225.053391,18164.0);(226.062958,43043.0);(227.063538,4412.0);(228.040604,640.0);(237.055176,28521.0);(238.056656,3096.0);(241.086563,691.0);(253.049286,34636.0);(254.054398,24985.0);(269.078094,31856.0)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(132.009476,2674.0);(134.998535,1169.0);(153.009796,593.0);(167.042206,992.0);(180.049454,422.0);(195.037491,7817.0);(196.044357,618.0);(208.045685,962.0);(223.034485,10813.0);(224.041809,2289.0);(251.027664,4657.0);(252.035767,4500.0)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(44.956139,132.0);(45.104389,36.0);(45.31583,124.0);(45.508968,100.0);(45.569408,124.0);(45.889732,120.0);(46.153019,136.0);(46.4781,80.0);(47.212334,116.0);(47.380695,120.0);(47.393024,108.0);(47.644096,88.0);(48.26984,136.0);(48.655018,56.0);(48.761978,104.0);(48.914974,112.0);(49.048698,116.0);(49.19796,132.0);(49.57,128.0);(51.065063,48.0);(51.237301,88.0);(51.308559,72.0);(51.525486,132.0);(52.07555,36.0);(52.092789,132.0);(52.225029,92.0);(52.500111,104.0);(52.619873,48.0);(52.658859,92.0);(53.254131,52.0);(53.491142,116.0);(53.748371,128.0);(53.895115,120.0);(53.908268,124.0);(53.976971,128.0);(54.284477,136.0);(54.384239,128.0);(56.037563,100.0);(56.074818,136.0);(56.180687,80.0);(56.23888,84.0);(56.686043,60.0);(56.94558,136.0);(57.777653,84.0);(57.933582,132.0);(57.954792,136.0);(58.745358,60.0);(58.809444,132.0);(58.859825,92.0);(59.518246,128.0);(59.759556,72.0);(59.833431,128.0);(60.144821,120.0);(60.203487,136.0);(60.376572,128.0);(60.85849,136.0);(60.937702,80.0);(61.034481,132.0);(61.283104,136.0);(61.345444,60.0);(61.428093,128.0);(61.47646,96.0);(61.507671,56.0);(61.723267,136.0);(62.006615,124.0);(62.152451,132.0);(62.21994,116.0);(62.445374,120.0);(62.899998,72.0);(63.467953,136.0);(64.024124,88.0);(64.172318,72.0);(64.592316,128.0);(65.253029,44.0);(65.383316,72.0);(65.499245,88.0);(65.536293,68.0);(66.146751,72.0);(66.787689,112.0);(66.829987,92.0);(66.911362,128.0);(67.289604,132.0);(67.595253,52.0);(67.99511,88.0);(68.128105,136.0);(68.149467,72.0);(68.414253,72.0);(68.473526,104.0);(68.684502,128.0);(69.191818,108.0);(69.301125,108.0);(69.594704,60.0);(69.644524,132.0);(69.719284,56.0);(69.730919,112.0);(70.651352,124.0);(71.549202,136.0);(71.576141,96.0);(71.712593,116.0);(72.143875,72.0);(72.444244,116.0);(72.556091,84.0);(72.763069,124.0);(72.970345,132.0);(72.999252,120.0);(73.21537,116.0);(73.404526,132.0);(74.050507,64.0);(75.280144,116.0);(75.478867,132.0);(76.182526,84.0);(76.654022,100.0);(76.730469,112.0);(76.803955,124.0);(77.715393,32.0);(77.73645,120.0);(78.152893,132.0);(78.371223,132.0);(78.457581,140.0);(78.849442,112.0);(78.926041,60.0);(78.976738,28.0);(79.254677,132.0);(79.497604,112.0);(79.783562,128.0);(79.963219,48.0);(80.285675,132.0);(80.346321,140.0);(80.442688,136.0);(80.925385,128.0);(81.328728,28.0);(81.73848,112.0);(81.801468,136.0);(82.243088,132.0);(83.053696,128.0);(83.202492,48.0);(83.391403,56.0);(83.596909,88.0);(83.742554,72.0);(83.768051,116.0);(83.859161,128.0);(84.443405,128.0);(85.053535,120.0);(85.14534,88.0);(85.48175,120.0);(85.829895,80.0);(86.090073,136.0);(86.178741,52.0);(86.739479,104.0);(87.650139,136.0);(88.02507,108.0);(88.148354,124.0);(88.464432,108.0);(88.67234,140.0);(88.921783,136.0);(89.040222,800.0);(89.62886,128.0);(89.790977,108.0);(90.342522,116.0);(90.382256,136.0);(90.43335,140.0);(90.613243,108.0);(91.502075,120.0);(91.563004,140.0);(91.663971,92.0);(91.866066,48.0);(92.095123,136.0);(92.119957,136.0);(92.257545,100.0);(93.785515,136.0);(93.831779,128.0);(93.916626,52.0);(94.579369,116.0);(94.76915,132.0);(95.361023,132.0);(95.506844,136.0);(95.571045,124.0);(96.060036,140.0);(96.136131,124.0);(96.702881,88.0);(97.141792,92.0);(97.161407,112.0);(97.837448,128.0);(98.731277,76.0);(98.76886,140.0);(98.818314,120.0);(99.345291,44.0);(100.83268,124.0);(100.90464,128.0);(100.974632,140.0);(101.154709,128.0);(101.204758,104.0);(101.715965,96.0);(101.981102,124.0);(102.044662,52.0);(102.188225,80.0);(102.595047,136.0);(103.053581,384.0);(103.279587,64.0);(104.023232,96.0);(104.212105,84.0);(104.226326,136.0);(104.515053,52.0);(104.692146,104.0);(104.975403,84.0);(105.034027,140.0);(105.121025,124.0);(105.426552,60.0);(105.815186,132.0);(106.378952,128.0);(106.682983,120.0);(106.702446,136.0);(107.049004,1000.0);(107.434631,108.0);(107.783554,124.0);(108.020515,1432.0);(108.079231,28.0);(108.754822,128.0);(108.997795,72.0);(109.319221,124.0);(110.043396,92.0);(110.16156,96.0);(111.497124,128.0);(111.564384,108.0);(112.288719,104.0);(112.497604,92.0);(112.541946,108.0);(112.990005,140.0);(113.239784,100.0);(113.31723,136.0);(114.578018,124.0);(114.763435,124.0);(115.056007,492.0);(115.171036,128.0);(115.3377,124.0);(116.061577,368.0);(116.597954,136.0);(117.919083,116.0);(118.042297,5148.0);(118.111519,68.0);(118.239166,104.0);(118.379883,132.0);(118.598694,140.0);(118.984818,72.0);(119.04541,604.0);(119.123802,116.0);(119.210709,68.0);(119.249832,96.0);(119.697975,36.0);(119.816757,120.0);(119.959419,60.0);(120.343384,96.0);(120.520302,124.0);(120.758575,100.0);(121.859009,48.0);(121.920532,128.0);(122.279396,136.0);(122.33844,52.0);(122.911469,108.0);(123.092468,116.0);(123.580956,80.0);(123.609718,72.0);(124.491982,92.0);(124.507523,104.0);(124.567497,136.0);(124.863113,88.0);(125.859207,52.0);(126.602814,132.0);(127.137383,52.0);(127.189003,76.0);(127.272072,120.0);(127.665306,76.0);(128.062073,2120.0);(128.266434,72.0);(128.394958,140.0);(128.945816,104.0);(129.027191,100.0);(129.069839,1084.0);(129.472946,96.0);(1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269.864594,52.0);(269.907104,84.0);(269.94635,44.0);(269.985596,52.0);(270.083405,2224.0);(270.131134,72.0);(270.184265,140.0);(270.265991,124.0);(270.417419,88.0);(270.469788,52.0);(270.771027,72.0);(270.928253,40.0);(271.085663,480.0);(271.432983,104.0);(271.623199,32.0);(271.718323,88.0);(271.844086,136.0);(271.915222,108.0);(272.003845,96.0);(272.049774,68.0);(272.200806,40.0);(272.236938,128.0);(272.618011,100.0);(275.801697,112.0);(276.456543,60.0);(281.663055,72.0);(282.789856,136.0);(284.371826,96.0);(286.102905,100.0);(287.461212,48.0);(289.309998,76.0);(293.850433,84.0);(293.887939,132.0);(301.00351,92.0);(310.314728,80.0);(313.834167,88.0);(316.416351,140.0);(318.544617,36.0);(321.328522,116.0);(325.853912,88.0);(326.500916,68.0);(326.9758,100.0);(338.19101,96.0);(339.029694,92.0);(342.969574,116.0);(352.750641,56.0);(354.779602,76.0);(357.833923,112.0);(361.400604,32.0);(362.601013,120.0);(366.450348,76.0);(370.304688,64.0);(370.588165,76.0);(377.033569,140.0);(381.879791,40.0);(383.230591,36.0);(387.755676,32.0);(391.885651,68.0);(391.964478,44.0);(394.557556,80.0);(397.02832,76.0);(405.848999,104.0);(406.671387,84.0);(416.040344,84.0);(420.615814,60.0);(427.110443,56.0);(432.461945,96.0);(446.644592,40.0);(452.514648,68.0);(453.633057,56.0);(455.338745,80.0);(459.024078,64.0);(465.257935,56.0);(465.867767,80.0);(468.53067,84.0);(481.797363,68.0);(498.11911,32.0);(512.94873,88.0);(522.604065,44.0);(541.707581,96.0);(543.515686,108.0);(548.566467,64.0);(564.955811,60.0);(569.074219,64.0);(575.306152,132.0);(583.445435,96.0);(587.548584,72.0);(590.940125,80.0);(591.428894,68.0);(591.607971,120.0);(594.681152,116.0);(595.36084,100.0);(599.188843,68.0);(600.822021,132.0);(610.318726,64.0);(622.931152,132.0);(639.341064,84.0);(723.182251,92.0);(725.533813,92.0);(763.474365,52.0);(785.105896,88.0);(802.156311,88.0);(803.199463,48.0);(816.310547,88.0);(819.218933,96.0);(836.841125,116.0);(859.376099,76.0);(871.178772,92.0);(897.868103,136.0);(927.031372,36.0);(947.099976,104.0);(999.35022,108.0);(1022.765442,92.0);(1044.977905,104.0);(1054.793091,100.0);(1058.700928,92.0);(1085.62854,140.0);(1101.794189,48.0);(1103.717407,140.0);(1111.182007,92.0);(1118.39209,36.0);(1129.11377,72.0);(1148.53772,140.0);(1156.842407,100.0);(1158.630249,104.0);(1171.633301,60.0);(1179.986694,116.0);(1192.304443,116.0);(1203.884888,128.0);(1206.572754,112.0);(1217.666504,124.0);(1230.164551,76.0);(1245.408691,124.0);(1256.27002,116.0);(1267.185547,128.0);(1270.269409,112.0);(1288.057983,132.0);(1292.511963,44.0);(1301.830688,140.0);(1313.76416,112.0);(1316.817505,132.0);(1321.422119,128.0);(1323.427002,136.0);(1323.948364,140.0);(1326.411743,140.0);(1333.328613,116.0);(1347.282227,72.0);(1349.63562,120.0);(1351.339722,36.0);(1359.781372,92.0);(1361.080811,56.0);(1374.846313,120.0);(1382.672607,76.0);(1390.135132,136.0);(1394.710083,96.0);(1395.170898,40.0);(1398.622559,120.0);(1407.792725,120.0);(1409.779907,132.0);(1411.820679,32.0);(1414.454346,116.0);(1417.937134,124.0);(1419.953857,92.0);(1424.585083,96.0);(1425.915039,104.0);(1427.734375,72.0);(1429.306519,132.0);(1433.704224,32.0);(1434.571045,136.0);(1439.467529,140.0);(1444.644775,116.0);(1453.531982,48.0);(1454.237671,52.0);(1480.004517,112.0);(1482.149292,136.0);(1482.25647,124.0);(1484.747925,28.0);(1486.594604,72.0);(1503.010132,136.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(91.0193,12.569089);(132.0221,16.438076);(135.0092,9.299898);(195.0458,34.360287);(223.0409,40.849539);(251.0359,22.978506);(252.0432,100.0);(267.0658,92.671443)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(132.0217,0.553887);(195.0409,0.704093);(206.022,3.266992);(223.038,1.135937);(252.0421,15.199024);(267.066,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(132.0213,1.572212);(135.008,1.928702);(195.0429,2.413163);(196.0515,0.722121);(208.0544,1.343693);(223.0405,5.292505);(224.0466,2.468007);(251.0348,4.369287);(252.0431,100.0);(252.0871,2.85192);(252.123,1.828154);(252.1896,1.517367);(252.2534,0.603291);(252.3011,0.548446);(267.0652,26.371115)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(104.0248,19.727251);(104.0591,0.634846);(104.094,0.705384);(104.5412,0.564308);(116.0289,1.857512);(117.0347,1.081589);(132.0204,56.242652);(132.0428,1.293205);(132.0715,1.410769);(132.1281,0.681872);(132.1931,0.75241);(135.0078,28.027275);(135.0469,1.128615);(145.0209,0.517282);(151.0639,0.658359);(166.0367,0.58782);(167.0499,13.214202);(167.0874,0.728897);(168.0519,1.034564);(173.0192,0.58782);(179.0477,1.951564);(180.0554,4.584999);(180.0649,2.09264);(194.0446,1.222666);(195.0446,99.717846);(195.0791,4.279332);(195.092,1.387256);(195.1412,1.058077);(195.1697,1.293205);(195.2156,1.199154);(195.5705,0.728897);(195.9134,0.634846);(196.06,1.551846);(197.3577,0.846461);(208.0509,16.45897);(208.0694,2.351281);(210.0409,0.728897);(211.2934,0.58782);(223.0395,100.0);(223.0834,4.396896);(223.113,1.739948);(223.1491,0.775923);(223.1811,1.199154);(223.2176,0.564308);(223.2828,0.517282);(223.7367,0.58782);(223.8679,0.517282);(224.0501,9.381613);(224.0968,0.893487);(225.5641,0.728897);(246.4378,0.564308);(250.0279,1.105102);(251.0342,56.05455);(251.0737,1.575359);(251.1009,1.293205);(251.1767,0.634846);(251.3217,0.658359);(251.4557,0.658359);(251.5265,0.540795);(251.5717,0.540795);(252.0428,13.896073);(252.0862,0.893487)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(252.099244,100.0);(253.097614,5.991202)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(94.916313,0.892437);(96.903189,0.571549);(170.986672,0.536184);(223.163275,2.09268);(239.073794,2.708198);(252.081992,100.0);(253.095399,6.465452)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(252.253215,100.0);(267.40605,32.922049);(268.166673,33.574056)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(252.301988,100.0);(267.356784,44.34826);(268.109716,42.5531)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(252.305526,100.0);(267.294511,31.933183);(268.124157,27.209238)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(132.0226,21.321321);(135.0096,14.414414);(167.0514,18.218218);(168.0553,2.202202);(180.0587,2.902903);(195.0464,100.0);(196.0499,10.610611);(223.0409,78.678679);(224.0452,10.510511);(251.0358,21.321321);(252.0408,4.104104)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(132.0225,4.504505);(135.0097,2.102102);(195.0462,3.103103);(223.0412,25.425425);(224.0475,8.608609);(251.036,16.716717);(252.0437,100.0);(253.0467,10.610611);(267.0664,2.302302)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(252.0437,6.006006);(267.0671,100.0);(268.0699,12.112112)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(132.0227,24.524525);(135.0096,15.515516);(167.0514,3.603604);(195.0464,40.840841);(196.0509,4.704705);(208.0539,3.703704);(223.0413,100.0);(224.0466,21.121121);(251.0361,41.741742);(252.0428,32.132132);(253.0462,3.303303)
LC-MS/MS	LC-ESI-TOF	negative	Not Available	View Spectrum	(223.0409,2.602603);(251.0358,2.302302);(252.0438,100.0);(253.0469,10.910911);(267.0667,56.756757);(268.07,5.405405)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(269.081,100.0);(270.096,1.43983)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(118.0438,10.297927);(197.0627,25.420984);(213.0945,11.062176);(225.0582,10.680052);(226.0652,11.522021);(237.058,14.727979);(253.0533,16.19171);(254.0608,11.450777);(269.0814,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(104.9921,47.722772);(105.0039,4.356436);(105.0087,4.356436);(180.0554,4.950495);(186.9953,8.712871);(269.081,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(104.992,36.543909);(107.0427,8.78187);(133.0633,6.232295);(136.0136,7.365439);(137.0167,5.949008);(185.0509,6.232295);(196.0452,13.314448);(213.0895,9.915014);(226.0586,12.464589);(237.0551,18.696884);(238.3466,6.515581);(253.0468,26.345609);(254.055,34.844193);(269.0784,100.0);(269.1006,6.515581)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(107.044703,9.101181);(118.031357,4.050057);(123.046354,0.598614);(133.059418,0.516189);(136.048027,3.804813);(137.055038,3.00464);(147.073511,0.731886);(163.08641,2.837397);(199.159266,1.342974);(213.170511,28.141313);(226.138981,0.721259);(237.117553,31.451237);(238.122912,0.68776);(239.152421,1.676017);(241.149665,4.771486);(253.152526,7.825632);(254.118205,100.0);(255.066912,2.243657);(267.110274,0.701309);(269.108909,3.232612)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(107.097657,9.166412);(118.074008,3.939939);(123.086913,0.578512);(133.099217,0.532633);(136.089616,3.62484);(137.096431,3.052107);(147.119101,0.685804);(163.126534,2.642372);(199.2034,1.286591);(213.2116,26.116111);(226.178404,0.713276);(237.1679,32.270391);(238.179112,0.600668);(239.195016,1.736921);(240.183362,1.373952);(241.187266,4.996566);(251.180645,0.719498);(252.187924,0.744083);(253.18204,8.205442);(254.170916,100.0);(255.107234,1.809523);(267.132258,4.384017);(269.148055,3.298219)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(44.956139,0.36921);(45.104389,0.100694);(45.31583,0.346834);(45.508968,0.279705);(45.569408,0.346834);(45.889732,0.335646);(46.153019,0.380398);(46.4781,0.223764);(47.212334,0.324457);(47.380695,0.335646);(47.393024,0.302081);(47.644096,0.24614);(48.26984,0.380398);(48.655018,0.156635);(48.761978,0.290893);(48.914974,0.313269);(49.048698,0.324457);(49.19796,0.36921);(49.57,0.358022);(51.065063,0.134258);(51.237301,0.24614);(51.308559,0.201387);(51.525486,0.36921);(52.07555,0.100694);(52.092789,0.36921);(52.225029,0.257328);(52.500111,0.290893);(52.619873,0.134258);(52.658859,0.257328);(53.254131,0.145446);(53.491142,0.324457);(53.748371,0.358022);(53.895115,0.335646);(53.908268,0.346834);(53.976971,0.358022);(54.284477,0.380398);(54.384239,0.358022);(56.037563,0.279705);(56.074818,0.380398);(56.180687,0.223764);(56.23888,0.234952);(56.686043,0.167823);(56.94558,0.380398);(57.777653,0.234952);(57.933582,0.36921);(57.954792,0.380398);(58.745358,0.167823);(58.809444,0.36921);(58.859825,0.257328);(59.518246,0.358022);(59.759556,0.201387);(59.833431,0.358022);(60.144821,0.335646);(60.203487,0.380398);(60.376572,0.358022);(60.85849,0.380398);(60.937702,0.223764);(61.034481,0.36921);(61.283104,0.380398);(61.345444,0.167823);(61.428093,0.358022);(61.47646,0.268516);(61.507671,0.156635);(61.723267,0.380398);(62.006615,0.346834);(62.152451,0.36921);(62.21994,0.324457);(62.445374,0.335646);(62.899998,0.201387);(63.467953,0.380398);(64.024124,0.24614);(64.172318,0.201387);(64.592316,0.358022);(65.253029,0.12307);(65.383316,0.201387);(65.499245,0.24614);(65.536293,0.190199);(66.146751,0.201387);(66.787689,0.313269);(66.829987,0.257328);(66.911362,0.358022);(67.289604,0.36921);(67.595253,0.145446);(67.99511,0.24614);(68.128105,0.380398);(68.149467,0.201387);(68.414253,0.201387);(68.473526,0.290893);(68.684502,0.358022);(69.191818,0.302081);(69.301125,0.302081);(69.594704,0.167823);(69.644524,0.36921);(69.719284,0.156635);(69.730919,0.313269);(70.651352,0.346834);(71.549202,0.380398);(71.576141,0.268516);(71.712593,0.324457);(72.143875,0.201387);(72.444244,0.324457);(72.556091,0.234952);(72.763069,0.346834);(72.970345,0.36921);(72.999252,0.335646);(73.21537,0.324457);(73.404526,0.36921);(74.050507,0.179011);(75.280144,0.324457);(75.478867,0.36921);(76.182526,0.234952);(76.654022,0.279705);(76.730469,0.313269);(76.803955,0.346834);(77.715393,0.089505);(77.73645,0.335646);(78.152893,0.36921);(78.371223,0.36921);(78.457581,0.391586);(78.849442,0.313269);(78.926041,0.167823);(78.976738,0.078317);(79.254677,0.36921);(79.497604,0.313269);(79.783562,0.358022);(79.963219,0.134258);(80.285675,0.36921);(80.346321,0.391586);(80.442688,0.380398);(80.925385,0.358022);(81.328728,0.078317);(81.73848,0.313269);(81.801468,0.380398);(82.243088,0.36921);(83.053696,0.358022);(83.202492,0.134258);(83.391403,0.156635);(83.596909,0.24614);(83.742554,0.201387);(83.768051,0.324457);(83.859161,0.358022);(84.443405,0.358022);(85.053535,0.335646);(85.14534,0.24614);(85.48175,0.335646);(85.829895,0.223764);(86.090073,0.380398);(86.178741,0.145446);(86.739479,0.290893);(87.650139,0.380398);(88.02507,0.302081);(88.148354,0.346834);(88.464432,0.302081);(88.67234,0.391586);(88.921783,0.380398);(89.040222,2.237637);(89.62886,0.358022);(89.790977,0.302081);(90.342522,0.324457);(90.382256,0.380398);(90.43335,0.391586);(90.613243,0.302081);(91.502075,0.335646);(91.563004,0.391586);(91.663971,0.257328);(91.866066,0.134258);(92.095123,0.380398);(92.119957,0.380398);(92.257545,0.279705);(93.785515,0.380398);(93.831779,0.358022);(93.916626,0.145446);(94.579369,0.324457);(94.76915,0.36921);(95.361023,0.36921);(95.506844,0.380398);(95.571045,0.346834);(96.060036,0.391586);(96.136131,0.346834);(96.702881,0.24614);(97.141792,0.257328);(97.161407,0.313269);(97.837448,0.358022);(98.731277,0.212576);(98.76886,0.391586);(98.818314,0.335646);(99.345291,0.12307);(100.83268,0.346834);(100.90464,0.358022);(100.974632,0.391586);(101.154709,0.358022);(101.204758,0.290893);(101.715965,0.268516);(101.981102,0.346834);(102.044662,0.145446);(102.188225,0.223764);(102.595047,0.380398);(103.053581,1.074066);(103.279587,0.179011);(104.023232,0.268516);(104.212105,0.234952);(104.226326,0.380398);(104.515053,0.145446);(104.692146,0.290893);(104.975403,0.234952);(105.034027,0.391586);(105.121025,0.346834);(105.426552,0.167823);(105.815186,0.36921);(106.378952,0.358022);(106.682983,0.335646);(106.702446,0.380398);(107.049004,2.797046);(107.434631,0.302081);(107.783554,0.346834);(108.020515,4.00537);(108.079231,0.078317);(108.754822,0.358022);(108.997795,0.201387);(109.319221,0.346834);(110.043396,0.257328);(110.16156,0.268516);(111.497124,0.358022);(111.564384,0.302081);(112.288719,0.290893);(112.497604,0.257328);(112.541946,0.302081);(112.990005,0.391586);(113.239784,0.279705);(113.31723,0.380398);(114.578018,0.346834);(114.763435,0.346834);(115.056007,1.376147);(115.171036,0.358022);(115.3377,0.346834);(116.061577,1.029313);(116.597954,0.380398);(117.919083,0.324457);(118.04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0.324457);(859.376099,0.212576);(871.178772,0.257328);(897.868103,0.380398);(927.031372,0.100694);(947.099976,0.290893);(999.35022,0.302081);(1022.765442,0.257328);(1044.977905,0.290893);(1054.793091,0.279705);(1058.700928,0.257328);(1085.62854,0.391586);(1101.794189,0.134258);(1103.717407,0.391586);(1111.182007,0.257328);(1118.39209,0.100694);(1129.11377,0.201387);(1148.53772,0.391586);(1156.842407,0.279705);(1158.630249,0.290893);(1171.633301,0.167823);(1179.986694,0.324457);(1192.304443,0.324457);(1203.884888,0.358022);(1206.572754,0.313269);(1217.666504,0.346834);(1230.164551,0.212576);(1245.408691,0.346834);(1256.27002,0.324457);(1267.185547,0.358022);(1270.269409,0.313269);(1288.057983,0.36921);(1292.511963,0.12307);(1301.830688,0.391586);(1313.76416,0.313269);(1316.817505,0.36921);(1321.422119,0.358022);(1323.427002,0.380398);(1323.948364,0.391586);(1326.411743,0.391586);(1333.328613,0.324457);(1347.282227,0.201387);(1349.63562,0.335646);(1351.339722,0.100694);(1359.781372,0.257328);(1361.080811,0.156635);(1374.846313,0.335646);(1382.672607,0.212576);(1390.135132,0.380398);(1394.710083,0.268516);(1395.170898,0.111882);(1398.622559,0.335646);(1407.792725,0.335646);(1409.779907,0.36921);(1411.820679,0.089505);(1414.454346,0.324457);(1417.937134,0.346834);(1419.953857,0.257328);(1424.585083,0.268516);(1425.915039,0.290893);(1427.734375,0.201387);(1429.306519,0.36921);(1433.704224,0.089505);(1434.571045,0.380398);(1439.467529,0.391586);(1444.644775,0.324457);(1453.531982,0.134258);(1454.237671,0.145446);(1480.004517,0.313269);(1482.149292,0.380398);(1482.25647,0.346834);(1484.747925,0.078317);(1486.594604,0.201387);(1503.010132,0.380398)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(70.467041,0.062519);(71.364357,0.010591);(71.476395,0.048512);(75.073677,0.047487);(76.028572,0.090875);(76.547493,0.07721);(77.038109,0.024598);(77.94902,0.06696);(78.815117,0.054662);(78.989395,0.0919);(79.037918,0.047146);(79.054611,0.461207);(80.02597,0.299614);(81.032547,0.26955);(82.079689,0.033139);(82.402969,0.099416);(85.018028,0.07721);(85.782791,0.059786);(89.037964,1.195723);(89.159294,0.081309);(90.046753,3.206928);(91.052284,0.579755);(91.369408,0.055003);(91.799446,0.01469);(92.021782,0.355642);(92.060745,0.085409);(92.909187,0.014007);(93.030884,0.079943);(93.769318,0.088825);(94.810318,0.092925);(94.881248,0.01879);(95.011101,0.134263);(95.048294,0.28629);(95.814728,0.066619);(98.036896,0.040996);(99.044334,0.037238);(100.659302,0.077893);(101.036888,0.079943);(101.458725,0.046804);(102.044083,0.021181);(103.053764,0.733832);(104.047401,0.073793);(104.056313,0.063886);(104.902946,0.024256);(105.0438,1.04472);(105.070557,0.498787);(105.17765,0.047829);(105.363892,0.01879);(106.073357,0.059445);(107.049553,1.141061);(108.020348,1.862936);(108.13588,0.018107);(108.488319,0.01879);(109.024254,0.266475);(110.028519,0.091558);(111.04277,0.061494);(111.945686,0.114106);(112.014404,0.044071);(114.321625,0.011274);(114.389725,0.015032);(114.940681,0.029722);(115.054581,0.703085);(115.178391,0.013324);(116.021027,0.07106);(116.05732,0.047487);(116.329414,0.061153);(117.032669,0.120256);(117.69416,0.058761);(117.994987,0.040655);(118.041176,8.787196);(118.384537,0.01674);(118.906197,0.085409);(119.047981,0.815825);(119.989792,0.047146);(120.0177,0.233337);(120.056351,0.281849);(121.02639,0.287998);(122.035309,0.060128);(123.043449,0.129138);(123.218575,0.031772);(123.740585,0.028697);(127.040024,0.280482);(127.686783,0.109323);(128.061966,1.214854);(128.718567,0.066277);(129.044083,0.178675);(129.070816,1.236036);(130.076645,0.176284);(130.114746,0.12128);(130.535034,0.083017);(130.573853,0.076185);(131.05719,0.190632);(131.810562,0.060811);(132.01915,0.045779);(132.056122,0.279457);(132.427979,0.015374);(133.026657,0.224113);(133.064896,1.666837);(133.761505,0.069352);(133.802231,0.094291);(134.032974,0.046121);(134.066437,0.269208);(135.040421,0.10864);(135.111588,0.072085);(136.01561,1.564005);(136.519791,0.013324);(136.550476,0.077551);(136.83931,0.040996);(136.92038,0.055003);(137.022781,6.018243);(137.288559,0.026989);(138.026993,0.485805);(139.053619,0.106249);(139.204102,0.035872);(140.062225,0.088825);(140.230301,0.040313);(140.849899,0.10864);(141.070114,2.522292);(141.590256,0.015715);(141.712021,0.039971);(142.035995,0.033139);(142.07785,0.653206);(143.014969,0.061153);(143.076813,0.057736);(143.721008,0.034505);(144.018188,0.062861);(144.053238,0.332411);(145.026245,0.200198);(145.064774,0.101124);(146.031876,0.040655);(146.071533,0.07516);(146.434219,0.044413);(146.519363,0.009907);(147.041687,0.090875);(148.049667,0.137679);(148.230835,0.105907);(148.372009,0.050562);(149.68634,0.061494);(149.743851,0.069694);(151.053284,0.109323);(152.062363,3.706057);(153.069138,2.410235);(154.025726,2.148543);(154.073364,0.338902);(154.183609,0.018448);(154.666931,0.103174);(155.051788,0.632367);(155.084824,0.204981);(155.138275,0.041338);(155.204697,0.075501);(155.676285,0.10454);(156.030518,0.173892);(156.058212,2.520242);(156.565979,0.013665);(156.995483,0.03553);(157.029694,0.061494);(157.063751,2.349424);(157.099396,0.070035);(157.561371,0.037238);(158.072678,1.263025);(158.550751,0.019132);(158.780991,0.049195);(159.075119,0.056711);(160.553253,0.085067);(161.013016,0.129138);(161.580856,0.014007);(162.625259,0.027672);(163.038773,0.499129);(163.610748,0.05227);(165.023956,0.066619);(165.069611,0.458474);(165.853531,0.026989);(166.074448,0.140412);(168.057068,0.801817);(168.08696,0.117522);(168.537949,0.047146);(169.016022,0.061153);(169.06485,8.240579);(169.624603,0.013665);(169.746262,0.057395);(169.851746,0.072427);(170.033859,0.067302);(170.072311,5.831369);(170.859589,0.023914);(171.044724,0.4554);(171.078369,0.765946);(171.347931,0.03348);(171.448563,0.019815);(172.049057,0.267159);(172.084198,0.064911);(173.574875,0.071402);(174.568527,0.043729);(174.852417,0.101466);(176.050491,0.03758);(177.059738,0.092925);(178.457703,0.046121);(179.050797,0.277066);(179.986328,0.044754);(180.054855,1.025588);(180.372589,0.064911);(180.927933,0.036213);(181.031448,0.352909);(181.064575,8.309931);(182.035248,0.064569);(182.072083,2.898774);(182.231873,0.026989);(182.896332,0.032114);(183.045013,0.299956);(183.076324,0.586246);(183.231903,0.026306);(183.541458,0.029039);(184.051117,0.974685);(184.085251,0.065936);(184.174057,0.110006);(184.441223,0.01674);(185.05864,0.331044);(185.095627,0.354617);(185.740524,0.029722);(186.034683,0.015715);(187.038925,0.289707);(188.038651,0.029722);(189.711731,0.026306);(189.819809,0.076526);(190.535583,0.100099);(190.877701,0.027672);(192.056458,0.08575);(193.043915,0.061494);(194.443207,0.082334);(195.015625,0.072427);(195.082703,0.637149);(195.950302,0.028014);(196.052048,1.332035);(196.086166,0.490246);(196.178101,0.013324);(196.354309,0.102491);(196.548737,0.113423);(196.737762,0.103174);(196.854813,0.043729);(196.982925,0.114106);(197.059998,33.422158);(197.118637,0.049879);(197.191422,0.020498);(197.274963,0.03348);(197.344727,0.034164);(197.475708,0.042363);(197.787292,0.148611);(198.065491,9.601995);(198.251526,0.083359);(198.443588,0.014349);(198.791718,0.030747);(199.039368,0.090192);(199.072311,1.404803);(199.451599,0.028697);(199.487961,0.035872);(199.595169,0.03348);(199.653,0.049195);(199.71022,0.01674);(199.76416,0.092241);(199.899002,0.061836);(200.046753,1.786751);(200.085297,0.062519);(200.274109,0.023914);(200.346024,0.043046);(200.397171,0.015032);(200.532303,0.022206);(200.578766,0.016398);(201.05426,0.186874);(202.062408,0.101124);(202.091812,0.046804);(207.190353,0.07721);(208.0513,0.701377);(208.521057,0.09395);(208.574524,0.018107);(208.679077,0.102491);(209.05986,2.090465);(210.064331,0.844864);(211.038589,0.430802);(211.076111,0.537734);(212.044495,0.289365);(212.071655,0.104199);(212.367661,0.055003);(213.006287,0.038263);(213.090958,9.809026);(213.304855,0.021523);(213.604584,0.022548);(213.977386,0.024939);(214.023132,0.083701);(214.095566,0.750231);(214.768814,0.028697);(215.068237,0.039288);(217.094986,0.021865);(218.205261,0.021523);(219.039993,0.047829);(223.077393,0.1797);(223.612961,0.063544);(224.045792,0.047829);(224.077042,0.026306);(224.180145,0.047146);(224.484192,0.054662);(224.606949,0.017423);(224.670288,0.030064);(224.73111,0.065252);(224.923691,0.118547);(224.963837,0.076526);(224.98999,0.088483);(225.054352,14.258481);(225.116547,0.043729);(225.179855,0.043388);(225.603699,0.012299);(225.775162,0.016398);(225.907928,0.061494);(225.984756,0.14212);(226.062347,19.392573);(226.49086,0.025964);(226.766815,0.015715);(227.037231,0.20054);(227.065308,1.959619);(227.38562,0.028356);(227.71936,0.063202);(227.895386,0.060128);(228.008911,0.068669);(228.039993,0.104199);(228.193573,0.009907);(230.427689,0.009907);(235.180603,0.025964);(236.011963,0.025964);(236.043655,0.129821);(236.295685,0.013324);(236.581177,0.046804);(236.73938,0.030406);(237.004639,0.155102);(237.054794,12.260258);(237.471939,0.121622);(237.588211,0.016057);(237.923721,0.036213);(238.056488,0.719483);(239.067886,0.326945);(239.140121,0.025281);(239.63562,0.025964);(239.717453,0.025281);(240.069,0.049879);(241.08609,0.752964);(242.081894,0.050904);(242.207611,0.010932);(242.445267,0.011616);(242.64032,0.016398);(244.821518,0.01469);(252.538712,0.017082);(252.611908,0.040313);(252.724899,0.026306);(252.933304,0.018107);(252.958099,0.026306);(253.050415,14.572444);(253.119904,0.025281);(253.493393,0.049537);(253.574432,0.029381);(253.619308,0.02289);(253.77829,0.042363);(253.961624,0.044071);(254.05777,13.701958);(254.31398,0.047829);(254.352707,0.037921);(254.509705,0.01469);(255.060883,0.941888);(256.900635,0.009907);(258.045868,0.100099);(259.753174,0.063544);(267.301971,0.034847);(267.838226,0.027331);(268.00351,0.030406);(268.075684,0.072085);(268.22052,0.039288);(268.27124,0.049879);(268.402924,0.051929);(268.627533,0.025964);(268.696564,0.132896);(268.741516,0.132213);(268.781647,0.061836);(268.815308,0.034505);(268.857513,0.010249);(268.893616,0.043729);(268.926453,0.118547);(268.9758,0.05022);(269.012268,0.3594);(269.081543,100.0);(269.224548,0.018107);(269.252258,0.014007);(269.280518,0.014349);(269.306488,0.066619);(269.344147,0.02289);(269.504578,0.02084);(269.551056,0.049879);(269.749268,0.055345);(269.836395,0.021865);(269.875549,0.01674);(270.009979,0.07106);(270.032104,0.065936);(270.085052,8.144238);(270.226013,0.054662);(271.049469,0.028697);(271.118286,0.024598);(271.1716,0.032114);(271.221741,0.015715);(271.396973,0.030747);(271.706543,0.024598);(271.807739,0.049879);(271.86142,0.028356);(271.888947,0.048854);(271.929413,0.018107);(271.95224,0.06901);(272.060059,0.040655);(272.082947,0.03553);(272.132141,0.038605);(272.236115,0.016398);(272.340027,0.051245);(272.522217,0.013324);(277.591125,0.030747);(285.101654,0.029381);(285.752594,0.030064);(311.003723,0.06901);(396.121582,0.032455);(474.639099,0.064569);(526.356384,0.045437);(570.00531,0.013324);(756.657104,0.030064);(829.549622,0.040996);(1432.545532,0.089167);(1477.123413,0.03553);(1589.535889,0.013665);(1601.206177,0.032114);(1694.245239,0.074476);(1765.282593,0.084384);(1836.592651,0.060128);(1848.370483,0.073793);(1855.713379,0.053295);(1860.285522,0.108298);(1873.885986,0.066277);(1926.78064,0.101124);(1971.266357,0.049879);(1999.756592,0.075843)
LC-MS/MS	LC-ESI-QFT	positive	low	View Spectrum	(107.0489,0.4106073567);(163.039,0.5246649558);(213.0912,11.27459367);(237.0549,10.71000855);(239.0706,0.5360707157);(241.0863,1.488451668);(253.0498,1.499857428);(254.0577,16.52694611);(269.0807,57.02879954)
LC-MS/MS	LC-ESI-IT	positive	low	View Spectrum	(107.1532,3.602917602);(118.1551,1.671208721);(136.243,1.262423854);(137.1338,1.214331517);(163.0616,1.41872395);(199.0215,0.9418082719);(213.0736,14.35556268);(237.0812,17.50160308);(239.1832,0.6572619429);(241.1786,2.789355563);(253.0873,3.81131773);(254.1152,40.07694774);(269.1027,10.69653735)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.0181,1.5);(68.9977,4.54);(77.0391,6.01);(79.0549,4.59);(80.0258,1.66);(81.0334,2.83);(89.0397,3.28);(90.0467,14.87);(91.0541,1.4);(92.0251,1.03);(103.0544,3.88);(105.0681,2.54);(107.0491,7.02);(108.0207,8.9);(115.0542,2.72);(118.0414,34.29);(120.0542,1.1);(128.0621,5.66);(129.0699,4.24);(133.0638,6.9);(136.0151,8.72);(137.0232,17.3);(141.0696,7.22);(142.0767,2.33);(151.0543,1.52);(152.0617,13.16);(153.0694,9.13);(155.0478,1.82);(156.0566,12.37);(157.0645,4.79);(158.072,4.93);(165.0697,3.15);(168.0562,2.11);(169.0642,21.98);(170.0725,17.45);(180.0566,3.87);(181.0648,26.86);(182.0722,6.69);(184.0515,3.52);(185.0582,1.05);(195.0781,2.56);(196.0526,5.2);(197.0595,100.0);(198.0676,16.6);(200.0461,6.12);(208.0507,2.08);(209.0597,4.72);(210.0677,1.13);(211.0439,1.11);(213.0909,10.73);(225.0545,42.73);(226.0622,27.45);(237.0542,27.04);(253.0492,44.9);(254.0577,4.51);(269.0807,2.84)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0386,2.51);(55.0178,2.56);(65.0385,2.19);(66.0464,4.33);(68.9971,7.49);(79.0542,6.12);(81.0335,7.6);(89.0386,10.68);(90.0464,23.71);(91.0542,3.2);(92.0257,1.57);(95.0491,5.8);(103.0542,5.38);(105.0336,1.88);(107.0492,4.48);(108.0206,10.39);(115.0542,4.14);(118.0413,31.47);(121.0284,1.16);(128.062,11.18);(129.0698,6.56);(133.0649,3.56);(137.0233,15.56);(141.0699,20.39);(142.0778,2.55);(144.057,3.18);(145.0648,1.02);(152.0621,22.45);(153.0699,11.57);(154.0261,2.71);(155.0491,3.51);(156.0569,7.56);(157.0648,4.62);(158.0726,2.53);(165.0699,2.9);(168.057,4.01);(169.0648,40.09);(170.0726,13.32);(171.044,1.16);(172.0519,1.27);(179.0491,1.28);(180.0569,2.18);(181.0648,27.3);(182.0727,2.63);(183.0442,1.38);(184.0518,1.97);(196.0522,1.79);(197.0598,100.0);(198.0676,6.56);(200.0468,7.04);(208.0517,1.06);(209.0598,3.79);(211.0391,1.65);(213.0912,1.89);(225.0546,36.73);(226.0624,5.57);(228.042,1.38);(237.0546,12.2);(253.0495,20.79)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.01916,1.8);(104.02541,1.1);(132.02011,6.7);(135.00777,4.0);(167.047,1.9);(195.0442,14.8);(196.0468,3.8);(208.05132,4.1);(223.03899,25.8);(224.04485,8.3);(225.04988,2.1);(251.03447,13.5);(252.0407,87.6);(253.04425,19.7);(254.0462,1.5);(267.06439,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(206.022,3.27);(223.038,1.14);(252.0421,15.2);(267.066,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(269.081,100.0);(270.096,1.44)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.04857,5.16);(118.04171,9.09);(136.01619,6.64);(137.02299,2.33);(152.06131,1.58);(163.03922,1.36);(170.07341,1.06);(181.0656,3.4);(195.08008,1.07);(197.06287,5.43);(198.06888,2.21);(213.0914,18.67);(225.05272,3.0);(226.0623,10.91);(237.0575,16.95);(241.09135,1.08);(253.05096,15.34);(254.05881,21.49);(268.25012,1.43);(269.08514,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(132.0213,1.57);(135.008,1.93);(195.0429,2.41);(208.0544,1.34);(223.0405,5.29);(224.0466,2.47);(251.0348,4.37);(252.0431,100.0);(252.0871,2.85);(252.123,1.83);(252.1896,1.52);(267.0652,26.37)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(252.04222,19.4);(253.04434,3.6);(267.06528,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(132.01967,7.46);(135.00844,3.98);(167.05164,2.91);(195.04213,15.81);(196.05287,1.46);(208.05148,8.74);(223.04591,37.33);(224.04688,12.35);(251.0316,29.34);(252.0444,100.0);(253.04808,2.26);(267.0658,54.05)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(269.0806,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(65.00405,2.6);(79.01473,1.2);(91.01727,38.5);(104.02489,11.7);(105.02888,1.1);(107.01249,1.4);(116.02905,1.5);(117.03584,1.2);(125.03949,1.2);(132.01929,14.0);(133.02855,1.2);(135.0071,9.1);(139.05928,1.8);(140.06346,1.1);(141.03157,2.3);(142.03738,2.5);(145.02385,1.7);(150.04712,1.1);(151.04997,2.5);(153.04123,1.1);(166.03867,2.1);(167.04976,57.7);(168.04819,13.0);(169.05695,1.1);(173.0251,1.3);(178.04004,1.6);(180.05176,2.2);(181.06041,1.1);(192.06119,1.6);(195.04436,100.0);(196.05084,5.5);(197.04749,3.3);(203.34589,1.1);(206.03105,3.0);(208.04762,1.5);(221.74486,1.1);(223.03581,24.6);(224.03253,2.4);(225.03897,1.1);(250.0294,1.2);(251.02602,3.0);(252.03877,1.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.01849,1.6);(132.01985,8.1);(135.00792,5.7);(167.04855,3.1);(168.05244,1.4);(195.04291,18.1);(196.04977,3.9);(208.05275,5.8);(223.03955,23.9);(224.04428,9.2);(251.03497,15.3);(252.04108,97.0);(253.04459,16.6);(254.04659,2.5);(267.06512,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(269.0813,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(269.08124,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(252.04195,20.3);(253.0452,3.9);(267.06476,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.01511,2.0);(91.01907,5.0);(104.02553,4.0);(132.02078,35.9);(133.02602,2.5);(135.00746,19.4);(136.00787,1.9);(167.05165,5.2);(168.05475,2.8);(180.05769,1.9);(195.04332,62.2);(196.0481,11.2);(197.05423,1.6);(208.05164,13.3);(209.05681,2.1);(223.03969,100.0);(224.04544,31.1);(225.05243,2.4);(251.03291,54.3);(252.04118,48.3);(253.0461,5.6)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.01769,5.8);(104.02582,6.5);(132.02022,37.1);(133.02373,2.9);(135.0074,18.7);(167.04967,7.4);(168.05742,2.0);(180.05611,6.2);(195.04314,64.4);(196.04814,11.9);(197.04956,1.3);(208.05353,11.9);(209.05582,1.4);(223.03935,100.0);(224.04359,30.7);(225.04495,3.4);(251.0334,51.8);(252.041,45.5);(253.04417,8.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.0178,2.18);(68.997,3.87);(79.0542,3.43);(81.0334,1.0);(90.0463,1.64);(91.0543,1.3);(95.0491,1.62);(103.0542,3.1);(105.0698,3.69);(107.0491,28.2);(108.0205,7.73);(118.0412,71.49);(123.044,2.31);(128.0619,1.05);(129.0698,1.33);(133.0647,13.7);(135.0439,1.06);(136.0154,3.99);(137.0232,27.57);(142.0777,1.51);(145.0649,1.14);(147.0439,2.2);(148.0519,1.52);(152.0619,5.52);(153.0698,6.89);(154.0259,28.27);(155.0854,1.46);(156.0568,13.75);(157.0648,4.32);(158.0725,5.48);(163.0388,5.34);(165.0699,3.49);(167.0853,1.51);(168.0415,1.17);(169.0647,5.22);(170.0725,16.73);(171.0804,2.42);(180.0569,3.43);(181.0646,25.08);(182.0725,15.15);(183.0805,2.23);(184.0518,5.78);(185.096,3.12);(195.0804,6.01);(196.0516,1.9);(197.0596,67.22);(198.0674,31.35);(199.0751,1.91);(200.0468,4.34);(208.0521,1.14);(209.0597,4.85);(210.0675,2.77);(211.075,1.48);(212.0829,1.29);(213.0909,87.08);(225.0545,30.41);(226.0623,95.52);(228.0418,1.31);(236.047,1.38);(237.0544,90.37);(241.0858,1.87);(253.0493,100.0);(254.0571,62.25);(269.0806,76.75)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(61.04095,1.1);(65.03761,1.1);(68.99519,2.7);(77.04025,8.2);(78.04549,2.0);(79.05412,2.0);(80.02141,1.9);(81.03506,6.4);(89.03771,6.8);(90.0461,20.8);(91.05294,4.8);(103.05659,1.8);(104.0499,1.9);(106.04401,1.3);(108.01325,2.7);(109.02216,1.4);(115.0524,36.3);(116.05538,2.6);(118.04247,14.7);(119.01911,1.5);(121.02087,1.4);(126.04792,1.4);(127.05098,4.7);(128.06509,9.4);(129.06781,9.4);(131.04828,2.5);(133.0282,2.3);(137.02557,6.6);(138.02733,2.1);(139.05379,10.2);(140.06241,4.1);(141.06984,71.5);(142.07449,5.2);(143.0766,1.1);(144.05943,3.5);(150.04704,3.1);(151.0547,14.3);(152.06064,38.2);(153.06514,20.1);(154.07733,2.1);(155.04781,2.4);(156.05994,4.7);(157.05772,2.2);(163.52283,1.6);(165.07295,1.5);(168.05205,6.1);(169.06445,41.8);(170.07277,14.6);(171.06732,2.4);(172.04846,2.3);(179.05258,1.9);(181.06259,23.9);(182.06651,5.6);(183.0455,3.9);(194.07387,1.3);(195.08092,2.5);(196.05519,14.3);(197.06058,100.0);(198.05959,5.5);(199.06076,1.9);(200.04167,2.4);(209.0584,1.5);(211.04073,2.7);(225.05278,27.8);(226.05319,4.6);(232.44626,1.7);(235.00528,1.1);(237.05914,4.6);(253.05064,10.1);(254.05034,1.5);(255.04655,1.3);(269.0755,9.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.04877,1.3);(118.0415,3.1);(136.01477,1.5);(141.06795,1.1);(169.0657,1.8);(181.0596,1.9);(182.06857,1.4);(197.05734,5.7);(198.06204,2.0);(213.09148,5.1);(225.05554,3.8);(226.05959,4.5);(237.05374,5.9);(238.05731,1.4);(253.04919,7.8);(254.058,7.2);(269.08075,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0386,1.2);(55.0179,2.01);(65.0385,1.15);(66.0464,1.76);(68.9971,6.54);(79.0543,5.04);(81.0336,3.38);(89.0386,1.96);(90.0465,9.31);(91.0542,1.56);(95.0492,3.6);(103.0543,5.04);(105.07,3.09);(107.0492,9.53);(108.0206,10.85);(115.0542,1.3);(118.0413,43.89);(128.0621,5.65);(129.0699,4.01);(133.0648,8.79);(136.0156,1.23);(137.0234,19.8);(141.0699,4.6);(142.0778,2.26);(144.0571,1.15);(152.0622,13.33);(153.0699,8.75);(154.0261,8.33);(155.0492,1.78);(156.057,15.54);(157.0649,6.31);(158.0727,5.48);(165.07,4.04);(168.057,1.82);(169.0649,20.77);(170.0727,21.58);(171.0803,1.15);(180.0571,3.47);(181.0649,29.31);(182.0728,8.34);(184.052,4.68);(185.0961,1.02);(195.0807,2.62);(196.0521,2.35);(197.0599,100.0);(198.0676,20.13);(200.0468,7.25);(208.0519,1.53);(209.0599,4.66);(210.0676,1.38);(211.0391,1.67);(213.0911,15.05);(225.0547,41.01);(226.0625,30.99);(228.0418,1.38);(237.0547,29.75);(253.0496,47.01);(254.0574,4.96);(269.0809,2.94)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(53.47155,1.4);(65.00242,1.1);(67.02036,1.9);(75.02605,1.4);(77.0379,1.2);(91.01776,34.7);(92.02131,5.1);(92.99714,1.6);(104.02587,13.6);(107.01077,1.2);(112.34451,1.1);(114.04556,1.1);(117.03267,1.7);(125.03378,1.2);(129.0304,1.3);(132.02016,10.3);(135.00754,11.7);(138.05127,2.3);(139.0464,1.1);(142.03503,1.1);(145.03337,1.4);(150.05768,2.2);(153.03403,4.1);(166.03871,1.7);(167.05003,56.4);(168.04993,4.1);(169.05074,1.1);(173.01929,3.8);(178.04021,2.5);(179.05597,2.0);(182.02946,1.3);(194.03464,2.6);(195.04475,100.0);(196.04776,9.7);(206.03569,4.3);(208.04544,2.0);(222.02919,2.0);(223.03529,19.0);(224.04579,4.1);(251.03194,4.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0491,5.06);(118.0413,7.09);(137.0233,2.57);(154.026,3.73);(163.0389,1.19);(197.0597,1.28);(198.0674,1.27);(213.0909,17.3);(226.0624,6.42);(237.0545,13.02);(253.0495,8.58);(254.0573,22.04);(269.0807,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(252.04111,20.2);(253.04381,3.3);(267.06451,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(79.05522,1.9);(103.05451,1.5);(105.06822,1.1);(107.04868,12.1);(108.02256,4.5);(118.04099,40.1);(119.04002,1.6);(129.06993,3.5);(133.06427,8.1);(136.01591,23.0);(137.02264,21.8);(138.02164,1.1);(141.06979,3.3);(142.07851,1.4);(148.0477,2.0);(151.05147,1.9);(152.06177,5.7);(153.06955,7.6);(154.0687,1.1);(155.08284,1.1);(156.05684,13.9);(157.06293,5.2);(158.07353,8.5);(163.0387,1.4);(165.07343,2.8);(166.06976,1.1);(169.0675,10.1);(170.07294,13.5);(171.077,2.8);(180.05672,3.4);(181.06372,23.0);(182.07242,10.5);(184.05014,5.0);(195.08098,6.1);(196.04581,3.3);(197.05904,67.9);(198.06584,36.3);(199.06903,7.6);(200.04807,1.1);(201.05006,1.4);(209.05782,5.0);(210.07259,1.9);(213.08983,47.4);(214.09688,6.4);(225.05493,37.9);(226.06187,67.9);(227.06856,12.9);(237.05611,50.8);(238.05986,10.4);(239.06525,1.6);(253.04951,100.0);(254.05609,51.5);(255.06348,7.3);(269.08112,43.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(118.04224,2.5);(136.01537,1.4);(137.02005,1.1);(152.06236,1.1);(156.05687,1.6);(169.06413,1.9);(170.07202,1.4);(181.06516,3.2);(197.05899,7.6);(198.06877,1.6);(213.0892,4.9);(225.05446,3.9);(226.06177,5.5);(237.05515,6.1);(238.06111,1.2);(253.04886,7.5);(254.05782,6.8);(269.08151,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.01771,1.7);(132.02,8.3);(135.00797,4.6);(167.04926,3.1);(195.04332,17.7);(196.04822,4.5);(208.0518,4.1);(223.03789,23.4);(224.04509,8.1);(225.04483,1.5);(251.03255,13.9);(252.04068,91.2);(253.04393,16.7);(254.05162,1.5);(267.06393,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(254.0573,1.42);(269.0807,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(65.0033,3.03);(91.019,57.13);(104.0268,3.58);(117.0346,1.27);(132.0217,26.94);(135.0088,13.65);(153.0194,3.05);(167.0503,20.42);(179.0504,1.16);(180.0581,3.85);(195.0451,100.0);(206.0374,1.32);(208.0531,2.92);(223.0401,58.14);(224.0479,1.2);(251.035,19.28)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(252.0437,6.01);(267.0671,100.0);(268.0699,12.11)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.99585,1.1);(90.04348,1.7);(103.0573,2.1);(105.07209,1.6);(107.04881,17.12);(108.02064,4.3);(109.0284,1.1);(118.04419,19.82);(119.04679,2.5);(121.02915,1.7);(128.0594,1.6);(129.0695,1.6);(131.04684,1.3);(133.06381,11.41);(135.0406,1.5);(136.01041,10.11);(137.02068,18.82);(141.06779,1.8);(152.06343,7.71);(153.06532,5.31);(154.07553,1.7);(155.08545,2.8);(156.05353,11.71);(157.06116,4.7);(158.06903,4.3);(159.0813,1.3);(163.03993,3.5);(165.06888,3.5);(169.06389,14.11);(170.07034,17.62);(171.0782,5.61);(175.03641,1.4);(180.05858,5.21);(181.06587,31.93);(182.07372,16.42);(183.07747,5.81);(184.05177,4.5);(185.1011,1.5);(186.0685,1.0);(195.07515,3.6);(196.04543,3.8);(197.0596,81.58);(198.06688,36.64);(199.07747,3.8);(200.0407,2.0);(208.04971,1.5);(209.06168,6.31);(210.06767,4.3);(211.07028,2.0);(212.0818,1.6);(213.08966,50.15);(214.09366,11.11);(215.09885,1.3);(225.05475,48.15);(226.0605,69.57);(227.06953,8.81);(237.05476,77.48);(238.05745,18.62);(239.05984,1.6);(251.06786,1.1);(253.05005,100.0);(254.0546,29.43);(255.061,9.41);(256.06097,1.1);(269.0813,40.84)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(132.0227,24.52);(135.0096,15.52);(167.0514,3.6);(195.0464,40.84);(196.0509,4.7);(208.0539,3.7);(223.0413,100.0);(224.0466,21.12);(251.0361,41.74);(252.0428,32.13);(253.0462,3.3)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.019,31.6);(104.0268,2.94);(108.0217,1.77);(132.0217,46.24);(135.0088,23.31);(153.0193,5.65);(167.0502,7.65);(180.0581,5.49);(195.0451,79.71);(196.0531,1.6);(208.053,9.33);(223.0401,100.0);(224.0479,8.55);(251.035,44.56);(252.0428,12.99)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(79.05573,1.1);(90.04527,2.0);(105.06701,1.5);(107.04856,12.81);(108.02017,4.7);(118.04067,37.54);(119.0456,3.9);(120.01726,1.1);(121.0265,1.5);(128.06119,1.2);(129.07224,3.2);(130.07314,2.0);(132.05742,1.2);(133.06615,7.91);(135.04436,1.1);(136.0152,22.52);(137.02223,22.92);(138.02187,1.8);(141.06859,3.4);(145.06885,1.2);(152.06297,9.71);(153.06946,9.81);(154.07289,1.7);(156.05759,15.22);(157.06525,4.0);(158.06885,2.9);(159.07759,2.1);(163.03796,5.31);(165.07104,8.21);(166.07132,1.1);(169.06566,9.21);(170.07199,22.52);(171.08025,3.8);(180.06288,2.0);(181.0648,30.33);(182.07536,12.91);(183.07584,4.0);(184.05124,3.6);(185.05975,1.5);(186.06128,1.8);(195.08084,6.41);(196.05038,3.4);(197.05992,87.79);(198.06622,50.45);(199.07072,7.61);(200.04863,4.4);(208.03531,1.3);(209.0593,6.01);(211.07376,1.8);(212.07236,1.4);(213.09085,55.86);(214.09401,9.31);(225.05447,39.14);(226.06258,86.69);(227.0665,11.71);(228.0654,2.5);(236.04196,1.3);(237.05435,85.69);(238.05937,13.11);(241.08447,1.4);(253.05106,100.0);(254.05659,58.96);(255.06044,6.41);(256.0658,1.4);(269.08102,45.05)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(223.0409,2.6);(251.0358,2.3);(252.0438,100.0);(253.0469,10.91);(267.0667,56.76);(268.07,5.41)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(132.0216,4.96);(135.0087,1.2);(195.0449,2.0);(208.0529,2.88);(223.04,9.98);(224.0478,4.14);(251.035,8.59);(252.0426,100.0);(267.0661,6.52)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.99388,1.5);(77.03857,6.11);(79.05422,1.0);(80.02167,2.9);(81.03309,2.3);(89.0382,14.21);(90.04762,20.82);(91.05446,1.7);(92.02439,1.7);(102.04477,1.1);(103.05471,3.9);(105.03062,1.5);(107.04615,3.6);(108.02089,4.2);(115.05371,33.73);(116.05807,5.71);(117.03264,2.7);(118.04104,15.22);(119.04885,1.7);(120.05955,1.8);(127.05479,6.21);(128.06888,8.11);(129.06686,9.01);(131.0603,1.2);(133.0732,1.4);(134.03058,1.0);(136.01462,2.0);(137.02271,11.41);(139.05075,4.7);(140.06296,5.31);(141.0697,58.16);(142.0743,13.41);(143.05031,2.5);(144.05948,2.7);(145.06363,1.9);(147.03963,1.5);(151.05602,15.62);(152.06227,36.14);(153.06987,19.22);(154.07263,4.7);(155.05435,3.8);(156.06006,3.7);(157.06041,2.0);(158.0584,1.3);(165.06932,2.5);(167.04614,1.1);(168.05682,13.51);(169.06407,46.95);(170.07106,10.31);(171.04468,7.61);(179.0457,6.01);(180.06056,1.6);(181.06462,11.01);(182.06644,2.7);(184.05136,1.0);(187.04004,1.2);(192.12105,1.0);(195.04543,1.2);(196.05502,5.01);(197.05873,100.0);(198.06517,10.21);(199.07272,1.0);(200.04857,2.6);(209.06404,2.9);(212.07071,1.2);(213.0864,1.5);(225.05562,26.03);(226.06021,4.4);(235.04124,1.6);(237.05382,4.4);(238.06252,1.4);(253.04587,5.31);(254.04405,1.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.47155,1.4);(65.00242,1.1);(67.02036,1.9);(75.02605,1.4);(77.0379,1.2);(91.01776,34.73);(92.02131,5.11);(92.99714,1.6);(101.03428,1.0);(104.02587,13.61);(107.01077,1.2);(112.34451,1.1);(113.03577,1.0);(114.04556,1.1);(117.03267,1.7);(125.03378,1.2);(129.0304,1.3);(132.02016,10.31);(135.00754,11.71);(138.05127,2.3);(139.0464,1.1);(142.03503,1.1);(145.03337,1.4);(150.05768,2.2);(151.0553,1.0);(153.03403,4.1);(156.02222,1.0);(166.03871,1.7);(167.05003,56.36);(168.04993,4.1);(169.05074,1.1);(173.01929,3.8);(178.04021,2.5);(179.05597,2.0);(182.02946,1.3);(194.03464,2.6);(195.04475,100.0);(196.04776,9.71);(206.03569,4.3);(208.04544,2.0);(222.02919,2.0);(223.03529,19.02);(224.04579,4.1);(251.03194,4.5);(252.05272,1.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(91.019,6.67);(108.0217,1.81);(132.0217,42.43);(135.0088,17.44);(153.0194,4.85);(167.0503,2.43);(180.0581,2.48);(195.0452,35.61);(196.0531,2.69);(208.053,17.04);(223.0401,94.3);(224.048,22.14);(251.0351,57.21);(252.0429,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(132.0226,21.32);(135.0096,14.41);(167.0514,18.22);(168.0553,2.2);(180.0587,2.9);(195.0464,100.0);(196.0499,10.61);(223.0409,78.68);(224.0452,10.51);(251.0358,21.32);(252.0408,4.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.0034,1.45);(91.0188,38.94);(104.0265,14.02);(132.0213,42.04);(135.0081,24.3);(151.054,1.4);(167.0495,15.66);(168.0544,1.33);(179.0498,1.47);(180.0573,5.73);(195.045,99.16);(196.0472,2.94);(208.0531,6.48);(223.04,100.0);(224.0459,9.52);(251.0345,44.1);(252.0427,11.79)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.00405,2.6);(79.01473,1.2);(91.01727,38.54);(104.02489,11.71);(105.02888,1.1);(107.01249,1.4);(116.02905,1.5);(117.03584,1.2);(125.03949,1.2);(132.01929,14.01);(133.02855,1.2);(135.0071,9.11);(139.05928,1.8);(140.06346,1.1);(141.03157,2.3);(142.03738,2.5);(145.02385,1.7);(150.04712,1.1);(151.04997,2.5);(153.04123,1.1);(166.03867,2.1);(167.04976,57.66);(168.04819,13.01);(169.05695,1.1);(173.0251,1.3);(178.04004,1.6);(180.05176,2.2);(181.06041,1.1);(192.06119,1.6);(195.04436,100.0);(196.05084,5.51);(197.04749,3.3);(199.64973,1.0);(203.34589,1.1);(206.03105,3.0);(208.04762,1.5);(221.74486,1.1);(223.03581,24.62);(224.03253,2.4);(225.03897,1.1);(250.0294,1.2);(251.02602,3.0);(252.03877,1.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(79.05522,1.9);(81.03594,1.0);(103.05451,1.5);(105.06822,1.1);(107.04868,12.11);(108.02256,4.5);(118.04099,40.14);(119.04002,1.6);(120.06013,1.0);(129.06993,3.5);(133.06427,8.11);(136.01591,23.02);(137.02264,21.82);(138.02164,1.1);(141.06979,3.3);(142.07851,1.4);(148.0477,2.0);(151.05147,1.9);(152.06177,5.71);(153.06955,7.61);(154.0687,1.1);(155.08284,1.1);(156.05684,13.91);(157.06293,5.21);(158.07353,8.51);(163.0387,1.4);(165.07343,2.8);(166.06976,1.1);(168.04671,1.0);(169.0675,10.11);(170.07294,13.51);(171.077,2.8);(180.05672,3.4);(181.06372,23.02);(182.07242,10.51);(184.05014,5.01);(195.08098,6.11);(196.04581,3.3);(197.05904,67.87);(198.06584,36.34);(199.06903,7.61);(200.04807,1.1);(201.05006,1.4);(208.05646,1.0);(209.05782,5.01);(210.07259,1.9);(213.08983,47.45);(214.09688,6.41);(225.05493,37.94);(226.06187,67.87);(227.06856,12.91);(237.05611,50.75);(238.05986,10.41);(239.06525,1.6);(241.0827,1.0);(253.04951,100.0);(254.05609,51.45);(255.06348,7.31);(269.08112,43.34)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(132.0209,3.4);(135.0085,1.6);(195.0441,3.64);(208.0538,2.41);(223.0401,10.24);(224.0461,3.98);(251.0336,6.7);(252.0426,100.0);(253.0431,1.29);(267.0655,22.61)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(252.0428,10.17);(267.0663,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02045,1.5);(75.96864,1.0);(91.01756,48.25);(92.02448,1.0);(100.82703,1.0);(104.02185,3.7);(105.02898,1.1);(107.00803,1.0);(115.8233,1.0);(130.03455,1.4);(132.02026,17.02);(133.02133,1.2);(135.00491,12.71);(138.04568,1.6);(139.05708,2.1);(140.01714,1.2);(141.03191,1.2);(142.0354,1.6);(151.05876,1.4);(152.02577,1.1);(153.03488,2.3);(167.04953,59.96);(168.05402,4.8);(169.04738,1.5);(178.0434,2.5);(178.81622,1.5);(180.05199,1.3);(195.04335,100.0);(196.04474,13.41);(206.03506,3.3);(210.03368,1.7);(223.03465,13.01);(224.05652,3.5);(251.0338,5.31)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(252.0428,100.0);(267.0663,91.62)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.05074,1.0);(118.04095,3.7);(133.06281,1.0);(136.01549,1.6);(137.0233,1.1);(169.06419,1.4);(170.07335,1.8);(181.06432,2.0);(197.05963,8.41);(198.06366,1.5);(213.09082,5.31);(225.05515,3.6);(226.06073,4.3);(237.05435,6.41);(253.05035,8.51);(254.0583,6.31);(269.08032,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.01771,1.7);(104.02513,1.0);(132.02,8.31);(135.00797,4.6);(167.04926,3.1);(195.04332,17.72);(196.04822,4.5);(208.0518,4.1);(223.03789,23.42);(224.04509,8.11);(225.04483,1.5);(251.03255,13.91);(252.04068,91.19);(253.04393,16.72);(254.05162,1.5);(267.06393,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(132.0225,4.5);(135.0097,2.1);(195.0462,3.1);(223.0412,25.43);(224.0475,8.61);(251.036,16.72);(252.0437,100.0);(253.0467,10.61);(267.0664,2.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(53.0386,1.2);(55.0179,2.0);(65.0385,1.1);(66.0464,1.7);(68.9971,6.51);(79.0543,5.01);(81.0336,3.3);(89.0386,1.9);(90.0465,9.31);(91.0542,1.5);(95.0492,3.6);(103.0543,5.01);(105.07,3.0);(107.0492,9.51);(108.0206,10.81);(115.0542,1.3);(118.0413,43.84);(128.0621,5.61);(129.0699,4.0);(133.0648,8.71);(136.0156,1.2);(137.0234,19.72);(141.0699,4.5);(142.0778,2.2);(144.0571,1.1);(152.0622,13.31);(153.0699,8.71);(154.0261,8.31);(155.0492,1.7);(156.057,15.52);(157.0649,6.31);(158.0727,5.41);(165.07,4.0);(168.057,1.8);(169.0649,20.72);(170.0727,21.52);(171.0803,1.1);(180.0571,3.4);(181.0649,29.23);(182.0728,8.31);(184.052,4.6);(185.0961,1.0);(195.0807,2.6);(196.0521,2.3);(197.0599,100.0);(198.0676,20.12);(200.0468,7.21);(208.0519,1.5);(209.0599,4.6);(210.0676,1.3);(211.0391,1.6);(213.0911,15.02);(225.0547,40.94);(226.0625,30.93);(228.0418,1.3);(237.0547,29.73);(253.0496,46.95);(254.0574,4.9);(269.0809,2.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.02588,1.2);(65.03403,3.9);(73.5576,1.4);(77.0367,3.7);(78.03906,3.7);(80.0205,3.2);(81.02834,2.0);(89.03754,12.31);(90.04542,15.12);(91.04976,1.9);(92.02266,1.9);(93.02692,2.2);(101.03272,1.1);(102.04942,2.2);(103.04333,1.2);(106.03419,1.2);(107.04497,1.7);(108.02192,4.5);(109.02502,1.4);(115.05225,29.13);(116.0603,4.0);(117.03324,1.3);(118.0421,7.71);(119.04205,2.8);(120.01674,1.0);(121.0265,3.6);(126.06142,1.4);(127.05328,5.71);(128.05879,16.22);(129.06543,7.11);(133.06801,2.9);(137.02841,4.6);(139.05644,3.0);(140.06422,1.9);(141.07172,56.86);(142.06648,6.11);(143.04024,1.1);(144.05072,3.3);(145.06538,1.9);(151.05319,5.41);(152.0658,26.53);(153.06664,17.22);(154.06868,2.6);(155.04509,1.5);(156.05103,3.9);(158.07957,3.6);(159.06346,1.2);(165.06122,2.1);(167.04855,2.0);(168.05478,5.91);(169.06645,36.64);(170.07024,13.51);(171.04521,2.9);(172.04558,1.0);(179.05383,4.4);(180.06029,1.0);(181.05603,9.61);(182.06831,2.6);(183.07153,1.3);(184.05225,2.2);(185.07016,1.4);(187.0296,1.5);(196.04675,3.9);(197.05855,100.0);(198.05794,7.81);(199.06808,2.4);(200.04262,3.5);(201.05904,1.1);(208.03612,1.4);(209.05273,2.1);(211.04808,3.2);(219.0273,1.0);(224.07867,1.3);(225.0529,13.71);(226.06371,11.21);(237.0544,4.4);(253.04114,10.71);(254.04779,2.0);(269.0704,2.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(61.04095,1.1);(65.03761,1.1);(68.99519,2.7);(77.04025,8.21);(78.04549,2.0);(79.05412,2.0);(80.02141,1.9);(81.03506,6.41);(89.03771,6.81);(90.0461,20.82);(91.05294,4.8);(92.0585,1.0);(103.05659,1.8);(104.0499,1.9);(106.04401,1.3);(108.01325,2.7);(109.02216,1.4);(115.0524,36.34);(116.05538,2.6);(118.04247,14.71);(119.01911,1.5);(121.02087,1.4);(126.04792,1.4);(127.05098,4.7);(128.06509,9.41);(129.06781,9.41);(131.04828,2.5);(133.0282,2.3);(137.02557,6.61);(138.02733,2.1);(139.05379,10.21);(140.06241,4.1);(141.06984,71.47);(142.07449,5.21);(143.0766,1.1);(144.05943,3.5);(147.04141,1.0);(150.04704,3.1);(151.0547,14.31);(152.06064,38.24);(153.06514,20.12);(154.07733,2.1);(155.04781,2.4);(156.05994,4.7);(157.05772,2.2);(158.07515,1.0);(163.52283,1.6);(165.07295,1.5);(168.05205,6.11);(169.06445,41.84);(170.07277,14.61);(171.06732,2.4);(172.04846,2.3);(179.05258,1.9);(181.06259,23.92);(182.06651,5.61);(183.0455,3.9);(194.07387,1.3);(195.08092,2.5);(196.05519,14.31);(197.06058,100.0);(198.05959,5.51);(199.06076,1.9);(200.04167,2.4);(209.0584,1.5);(211.04073,2.7);(225.05278,27.83);(226.05319,4.6);(232.44626,1.7);(235.00528,1.1);(237.05914,4.6);(253.05064,10.11);(254.05034,1.5);(255.04655,1.3);(269.0755,9.41)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.04877,1.3);(118.0415,3.1);(136.01477,1.5);(141.06795,1.1);(169.0657,1.8);(170.06863,1.0);(181.0596,1.9);(182.06857,1.4);(197.05734,5.71);(198.06204,2.0);(213.09148,5.11);(225.05554,3.8);(226.05959,4.5);(237.05374,5.91);(238.05731,1.4);(253.04919,7.81);(254.058,7.21);(255.0611,1.0);(269.08075,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.0178,2.1);(68.997,3.8);(79.0542,3.4);(81.0334,1.0);(90.0463,1.6);(91.0543,1.3);(95.0491,1.6);(103.0542,3.1);(105.0698,3.6);(107.0491,28.13);(108.0205,7.71);(118.0412,71.47);(123.044,2.3);(128.0619,1.0);(129.0698,1.3);(133.0647,13.61);(135.0439,1.0);(136.0154,3.9);(137.0232,27.53);(142.0777,1.5);(145.0649,1.1);(147.0439,2.1);(148.0519,1.5);(152.0619,5.51);(153.0698,6.81);(154.0259,28.23);(155.0854,1.4);(156.0568,13.71);(157.0648,4.3);(158.0725,5.41);(163.0388,5.31);(165.0699,3.4);(167.0853,1.5);(168.0415,1.1);(169.0647,5.21);(170.0725,16.72);(171.0804,2.4);(180.0569,3.4);(181.0646,25.03);(182.0725,15.12);(183.0805,2.2);(184.0518,5.71);(185.096,3.1);(195.0804,6.01);(196.0516,1.9);(197.0596,67.17);(198.0674,31.33);(199.0751,1.9);(200.0468,4.3);(208.0521,1.1);(209.0597,4.8);(210.0675,2.7);(211.075,1.4);(212.0829,1.2);(213.0909,86.99);(225.0545,30.33);(226.0623,95.5);(228.0418,1.3);(236.047,1.3);(237.0544,90.29);(241.0858,1.8);(253.0493,100.0);(254.0571,62.16);(269.0806,76.68)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.0542854557);(51.0234751,0.0085524436);(53.03912516,0.0015470353);(57.03403978,0.105042528);(69.03403978,0.0002021533);(71.01330434,0.0001318597);(77.03912516,0.0001162079);(81.03403978,0.0024156304);(83.04968984,0.070956215);(95.01330434,0.0003831809);(103.0547752,0.0010354736);(105.0340398,0.0001569447);(107.0496898,0.000138521);(119.0496898,0.0001588519);(121.0289544,0.0051780325);(133.0653399,0.2016477439);(137.023869,0.7056328361);(149.0602545,0.036933062);(163.0395191,0.0004408767);(171.0446045,0.0000981671);(187.0395191,0.1022487021);(197.0602545,0.0008518731);(201.0551691,0.0001170083);(211.0395191,0.040532347);(213.0551691,0.1157975082);(225.0551691,0.0084638536);(227.0708192,0.1702970358);(239.0708192,1.379503183);(241.0500838,0.2789943685);(243.0657338,0.2761265452);(269.0813839,96.43201436)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.2567534908);(51.0234751,0.1831611011);(53.03912516,0.0045115644);(57.03403978,0.1248572641);(69.03403978,0.0024135312);(77.03912516,0.002540918);(81.03403978,0.0673882835);(83.04968984,0.2016319779);(91.01838972,0.0019494154);(92.99765427,0.0015796277);(95.01330434,0.0173044307);(103.0547752,0.0054362447);(105.0340398,0.0021860876);(119.0496898,0.0021901587);(121.0289544,0.0670703596);(133.0653399,0.4408301502);(137.023869,1.251168456);(149.0602545,0.1917407991);(163.0395191,0.0093329324);(171.0446045,0.0044950679);(187.0395191,0.4967062131);(197.0602545,0.0048057017);(201.0551691,0.001876468);(211.0395191,0.3014161105);(213.0551691,1.068446586);(225.0551691,0.037913738);(227.0708192,0.7784590448);(239.0708192,1.529851449);(241.0500838,1.598630011);(243.0657338,1.107059226);(269.0813839,90.23629359)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,0.7701962474);(51.0234751,7.589227873);(57.03403978,0.5023940458);(67.01838972,1.345656261);(69.03403978,1.853441836);(77.03912516,2.104767439);(79.01838972,0.5554958819);(81.03403978,0.7223857044);(91.01838972,0.6536782486);(92.99765427,1.314143142);(93.03403978,0.592866249);(95.01330434,4.334157292);(103.0547752,5.230326748);(107.0496898,0.5831146296);(119.0496898,1.239933956);(121.0289544,3.230918894);(133.0289544,0.7581545441);(133.0653399,7.00338314);(137.023869,19.29656355);(149.0602545,1.921730922);(171.0446045,0.7956268815);(187.0395191,2.680033558);(197.0602545,1.805525303);(211.0395191,3.227837941);(213.0551691,5.970286788);(225.0551691,0.7809420461);(227.0708192,2.577549685);(239.0708192,10.51147017);(241.0500838,1.027947003);(243.0657338,2.305801496);(269.0813839,6.714442521)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(25.00782503,0.0042227917);(29.00273965,0.0181952515);(31.01838972,0.0005480922);(41.00273965,0.0640293319);(49.00782503,0.0007414993);(51.0234751,0.0003254414);(55.01838972,0.2728496504);(67.01838972,0.000114107);(81.03403978,0.0483905427);(92.99765427,0.0005651909);(101.0391252,0.0018441322);(105.0340398,0.0003069124);(108.9925689,0.0003184117);(117.0340398,0.003328211);(119.0133043,0.002257776);(131.0133043,0.0005166658);(131.0496898,0.2687223356);(135.008219,0.6467725397);(147.0446045,0.198839773);(161.023869,0.0021803405);(185.023869,0.0283948835);(195.0446045,0.0004986172);(209.023869,0.0064471208);(211.0395191,0.0187343384);(223.0395191,0.001738723);(225.0187836,0.0001778516);(225.0551691,0.0405922545);(237.0551691,1.088215058);(239.0344337,0.0475059563);(241.0500838,0.412873015);(267.0657338,96.81975318)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(25.00782503,0.0148849674);(29.00273965,0.0665736132);(31.01838972,0.0139226485);(41.00273965,0.0688754534);(49.00782503,0.005474858);(55.01838972,0.1352070053);(81.03403978,0.0791603711);(92.99765427,0.0136107261);(101.0391252,0.014442166);(105.0340398,0.0033701155);(117.0340398,0.0045983854);(119.0133043,0.3051209959);(131.0133043,0.0052263223);(131.0496898,0.7108950279);(135.008219,1.762564868);(147.0446045,0.1259062108);(161.023869,0.049665031);(169.0289544,0.0032160755);(185.023869,0.1655908765);(195.0446045,0.0360909086);(197.023869,0.0028230619);(199.0395191,0.0064542744);(209.023869,0.0808627403);(211.0395191,0.4541753607);(223.0395191,0.0066846214);(225.0187836,0.008301983);(225.0551691,1.357386454);(237.0551691,4.240359532);(239.0344337,0.7103400262);(241.0500838,1.27216092);(267.0657338,88.2760544)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(25.00782503,0.5477890993);(41.00273965,3.562498352);(49.00782503,0.8676217459);(55.01838972,6.880284306);(65.00273965,0.7879540536);(67.01838972,2.501371739);(75.0234751,1.845241942);(77.00273965,0.4277269571);(92.99765427,2.384378399);(101.0391252,4.559619098);(103.0183897,0.6348926138);(105.0340398,1.43365934);(117.0340398,1.036045873);(119.0133043,4.718815941);(131.0133043,0.7844453385);(131.0496898,8.451391946);(135.008219,13.57213682);(147.0446045,0.8810771126);(161.023869,2.13811649);(169.0289544,0.7481596502);(185.023869,1.325148729);(195.0446045,2.03362847);(199.0395191,0.5518034972);(209.023869,1.758594746);(211.0395191,5.253600271);(225.0187836,0.5463887886);(225.0551691,3.238653127);(237.0551691,12.44853545);(239.0344337,2.06269435);(241.0500838,3.665838629);(267.0657338,8.35188712)

Food Sources

	Name	Group
	Chickpea	Pulses and beans		Show
	Red clover	Pulses and beans	Publications	Show

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food Phytochemical	Metabolite	Species	Biofluids	Origin	TMax	CMax	Urinary Excretion	Formula	Monoisotopic mass
Formononetin	Daidzein	human	Not Available	Not Available	Not Available	Not Available	Not Available	C₁₅H₁₀O₄	254.057908802
Formononetin	Formononetin	human	plasma, serum, urine	unchanged	3h-5h	20-50 nmol/L	Not Available	C₁₆H₁₂O₄	268.073558866	Publications
Formononetin	Formononetin 7-O-glucuronide	human	urine	host metabolism	Not Available	Not Available	Not Available	C₂₂H₂₂O₁₁	462.116211528	Publications
Formononetin	Formononetin 7-O-sulfate	human	urine	host metabolism	Not Available	Not Available	Not Available			Publications
Formononetin	Dihydroformononetin	human	plasma, urine	gut microbiota metabolite	12h-24h	50-200 nmol/L	Not Available	C₁₆H₁₄O₄	270.089208931	Publications
Formononetin	Calycosin	human	urine	host metabolism	Not Available	Not Available	Not Available	C₁₆H₁₂O₅	284.068473486	Publications
Formononetin	Angolensin	human	urine	gut microbiota metabolite	Not Available	Not Available	Not Available	C₁₆H₁₆O₄	272.104858995	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

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Showing entry for Formononetin