PhytoHub: Showing entry for Zeatin (trans-)

Zeatin (trans-)

Identification

PhytoHub ID

PHUB000794

Name

Zeatin (trans-)

Systematic Name

Not Available

Synonyms

Not Available

CAS Number

Not Available

Average Mass

219.248

Monoisotopic Mass

219.112010059

Chemical Formula

C₁₀H₁₃N₅O

IUPAC Name

(2E)-2-methyl-4-[(1H-purin-6-yl)amino]but-2-en-1-ol

InChI Key

UZKQTCBAMSWPJD-FARCUNLSSA-N

InChI Identifier

InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2+

SMILES

C\C(CO)=C/CNC1=C2N=CN=C2N=CN1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 4.08e-01 g/l
LogS (ALOGPS): -2.73
LogP (ALOGPS): -0.32
Hydrogen Acceptors: 5
Hydrogen Donors: 3
Rotatable Bond Count: 4
Polar Surface Area: 86.72
Refractivity: 63.29609999999999
Polarizability: 22.998642343961325
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): 0.8690089813283778
pKa (strongest acidic): 6.12134737049442
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 16522
ChEBI: 46570
PubChem: 449093
Chemistry Dashboard: DTXSID9040631
KNApSAcK: C00000091
MetaboLights: MTBLC16522
PeakForestCompound: 000619

Taxonomy as Food Phytochemical

Family: N-containing compounds
Class: Miscellaneous N-containing compounds
Sub-class: Purines and pyrimidines

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Imidazopyrimidines
Super-class: Organoheterocyclic compounds
Sub-class: Purines and purine derivatives
Direct Parent Name: 6-alkylaminopurines
Alternative Parent Names: ["Aminopyrimidines and derivatives", "Azacyclic compounds", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Imidazoles", "Imidolactams", "Organopnictogen compounds", "Primary alcohols", "Secondary alkylarylamines"]
External Descriptor Annotations: ["zeatin"]
Substituent Names: ["6-alkylaminopurine", "Alcohol", "Amine", "Aminopyrimidine", "Aromatic heteropolycyclic compound", "Azacycle", "Azole", "Heteroaromatic compound", "Hydrocarbon derivative", "Imidazole", "Imidolactam", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Primary alcohol", "Pyrimidine", "Secondary aliphatic/aromatic amine", "Secondary amine"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.096);(71.0,0.066);(72.0,0.194);(76.0,0.076);(77.0,0.075);(78.0,0.011);(79.0,0.017);(80.0,0.031);(81.0,0.024);(82.0,0.042);(83.0,0.054);(84.0,0.286);(85.0,0.122);(86.0,0.051);(87.0,0.023);(88.0,0.012);(89.0,0.008);(90.0,0.004);(91.0,0.005);(92.0,0.018);(93.0,0.027);(94.0,0.026);(95.0,0.043);(96.0,0.023);(97.0,0.057);(98.0,0.053);(99.0,0.104);(100.0,0.118);(101.0,0.054);(102.0,0.013);(103.0,0.027);(104.0,0.008);(105.0,0.012);(106.0,0.01);(107.0,0.013);(108.0,0.017);(109.0,0.026);(110.0,0.024);(111.0,0.108);(112.0,0.025);(113.0,0.05);(114.0,0.016);(115.0,0.027);(116.0,0.016);(117.0,0.02);(118.0,0.008);(119.0,0.034);(120.0,0.016);(121.0,0.028);(122.0,0.016);(123.0,0.065);(124.0,0.027);(125.0,0.045);(126.0,0.023);(127.0,0.029);(128.0,0.009);(129.0,0.013);(130.0,0.046);(131.0,0.055);(132.0,0.025);(133.0,0.031);(134.0,0.017);(135.0,0.02);(136.0,0.019);(137.0,0.025);(138.0,0.054);(139.0,0.018);(140.0,0.03);(141.0,0.111);(142.0,0.031);(143.0,0.029);(144.0,0.009);(145.0,0.007);(146.0,0.01);(150.0,0.033);(151.0,0.024);(152.0,0.016);(153.0,0.013);(154.0,0.029);(155.0,0.025);(156.0,0.134);(157.0,0.082);(158.0,0.036);(159.0,0.023);(160.0,0.023);(161.0,0.013);(162.0,0.014);(163.0,0.012);(164.0,0.028);(165.0,0.08);(166.0,0.023);(167.0,0.03);(168.0,0.014);(169.0,0.013);(170.0,0.006);(171.0,0.024);(172.0,0.011);(173.0,0.021);(174.0,0.013);(175.0,0.027);(176.0,0.016);(177.0,0.034);(178.0,0.021);(179.0,0.031);(180.0,0.014);(181.0,0.013);(182.0,0.01);(183.0,0.013);(184.0,0.005);(185.0,0.014);(186.0,0.012);(187.0,0.005);(188.0,0.014);(189.0,0.011);(190.0,0.015);(191.0,0.045);(192.0,0.124);(193.0,0.037);(194.0,0.026);(195.0,0.013);(196.0,0.009);(197.0,0.005);(198.0,0.008);(199.0,0.005);(200.0,0.054);(201.0,0.011);(202.0,0.011);(203.0,0.009);(204.0,0.017);(205.0,0.019);(206.0,0.073);(207.0,0.026);(208.0,0.031);(209.0,0.015);(210.0,0.008);(211.0,0.004);(212.0,0.002);(213.0,0.001);(214.0,0.002);(215.0,0.006);(216.0,0.019);(217.0,0.011);(218.0,0.015);(219.0,0.008);(220.0,0.023);(221.0,0.054);(222.0,0.036);(223.0,0.02);(224.0,0.007);(225.0,0.002);(226.0,0.002);(227.0,0.002);(228.0,0.004);(229.0,0.007);(230.0,0.01);(231.0,0.07);(232.0,0.112);(233.0,0.043);(234.0,0.019);(235.0,0.015);(236.0,0.047);(237.0,0.036);(238.0,0.016);(239.0,0.009);(240.0,0.003);(241.0,0.002);(242.0,0.018);(243.0,0.008);(244.0,0.013);(245.0,0.03);(246.0,0.023);(247.0,0.033);(248.0,0.028);(249.0,0.034);(250.0,0.026);(251.0,0.021);(252.0,0.006);(253.0,0.003);(254.0,0.001);(255.0,0.002);(256.0,0.016);(257.0,0.032);(258.0,0.037);(259.0,0.011);(260.0,0.023);(261.0,0.01);(262.0,0.018);(263.0,0.082);(264.0,0.355);(265.0,0.101);(266.0,0.046);(267.0,0.009);(268.0,0.002);(269.0,0.002);(270.0,0.011);(271.0,0.023);(272.0,0.212);(273.0,0.053);(274.0,0.037);(275.0,0.01);(276.0,0.011);(277.0,0.023);(278.0,0.05);(279.0,0.038);(280.0,0.035);(281.0,0.009);(282.0,0.003);(283.0,0.001);(284.0,0.001);(285.0,0.001);(286.0,0.002);(287.0,0.001);(288.0,0.004);(289.0,0.006);(290.0,0.016);(291.0,0.006);(292.0,0.069);(293.0,0.019);(294.0,0.007);(295.0,0.004);(296.0,0.002);(297.0,0.001);(298.0,0.001);(299.0,0.001);(300.0,0.004);(301.0,0.003);(302.0,0.008);(303.0,0.03);(304.0,1.0);(305.0,0.332);(306.0,0.128);(307.0,0.027);(308.0,0.006);(309.0,0.003);(310.0,0.002);(311.0,0.001);(312.0,0.002);(313.0,0.002);(314.0,0.019);(315.0,0.009);(316.0,0.012);(317.0,0.009);(318.0,0.022);(319.0,0.009);(320.0,0.003);(321.0,0.004);(322.0,0.003);(323.0,0.002);(324.0,0.002);(325.0,0.001);(326.0,0.002);(327.0,0.002);(328.0,0.004);(329.0,0.006);(330.0,0.072);(331.0,0.04);(332.0,0.373);(333.0,0.115);(334.0,0.042);(335.0,0.01);(336.0,0.011);(337.0,0.005);(338.0,0.003);(339.0,0.002);(340.0,0.001);(341.0,0.001);(342.0,0.002);(343.0,0.004);(344.0,0.046);(345.0,0.133);(346.0,0.694);(347.0,0.239);(348.0,0.084);(349.0,0.018);(350.0,0.004);(351.0,0.003);(352.0,0.003);(353.0,0.002);(354.0,0.001);(355.0,0.001);(356.0,0.001);(360.0,0.0);(361.0,0.0);(362.0,0.01);(363.0,0.004);(364.0,0.001);(365.0,0.002);(366.0,0.002);(367.0,0.001);(369.0,0.0);(370.0,0.001);(371.0,0.0);(372.0,0.0);(373.0,0.0);(377.0,0.0);(379.0,0.001);(381.0,0.001);(383.0,0.0);(384.0,0.001);(386.0,0.001);(387.0,0.0);(388.0,0.001);(389.0,0.001);(390.0,0.001);(400.0,0.0);(402.0,0.0);(403.0,0.001);(404.0,0.001);(405.0,0.002);(406.0,0.001);(407.0,0.001);(418.0,0.0);(419.0,0.008);(420.0,0.096);(421.0,0.043);(422.0,0.019);(423.0,0.006);(424.0,0.001);(425.0,0.001);(426.0,0.0);(428.0,0.001);(430.0,0.0);(432.0,0.0);(433.0,0.004);(434.0,0.03);(435.0,0.045);(436.0,0.021);(437.0,0.008);(438.0,0.002);(443.0,0.001);(444.0,0.0);(477.0,0.0);(481.0,0.001);(488.0,0.0);(496.0,0.0);(504.0,0.0);(547.0,0.0);(548.0,0.001);(568.0,0.0);(598.0,0.0)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.096);(71.0,0.066);(72.0,0.194);(76.0,0.076);(77.0,0.075);(78.0,0.011);(79.0,0.017);(80.0,0.031);(81.0,0.024);(82.0,0.042);(83.0,0.054);(84.0,0.286);(85.0,0.122);(86.0,0.051);(87.0,0.023);(88.0,0.012);(89.0,0.008);(90.0,0.004);(91.0,0.005);(92.0,0.018);(93.0,0.027);(94.0,0.026);(95.0,0.043);(96.0,0.023);(97.0,0.057);(98.0,0.053);(99.0,0.104);(100.0,0.118);(101.0,0.054);(102.0,0.013);(103.0,0.027);(104.0,0.008);(105.0,0.012);(106.0,0.01);(107.0,0.013);(108.0,0.017);(109.0,0.026);(110.0,0.024);(111.0,0.108);(112.0,0.025);(113.0,0.05);(114.0,0.016);(115.0,0.027);(116.0,0.016);(117.0,0.02);(118.0,0.008);(119.0,0.034);(120.0,0.016);(121.0,0.028);(122.0,0.016);(123.0,0.065);(124.0,0.027);(125.0,0.045);(126.0,0.023);(127.0,0.029);(128.0,0.009);(129.0,0.013);(130.0,0.046);(131.0,0.055);(132.0,0.025);(133.0,0.031);(134.0,0.017);(135.0,0.02);(136.0,0.019);(137.0,0.025);(138.0,0.054);(139.0,0.018);(140.0,0.03);(141.0,0.111);(142.0,0.031);(143.0,0.029);(144.0,0.009);(145.0,0.007);(146.0,0.01);(150.0,0.033);(151.0,0.024);(152.0,0.016);(153.0,0.013);(154.0,0.029);(155.0,0.025);(156.0,0.134);(157.0,0.082);(158.0,0.036);(159.0,0.023);(160.0,0.023);(161.0,0.013);(162.0,0.014);(163.0,0.012);(164.0,0.028);(165.0,0.08);(166.0,0.023);(167.0,0.03);(168.0,0.014);(169.0,0.013);(170.0,0.006);(171.0,0.024);(172.0,0.011);(173.0,0.021);(174.0,0.013);(175.0,0.027);(176.0,0.016);(177.0,0.034);(178.0,0.021);(179.0,0.031);(180.0,0.014);(181.0,0.013);(182.0,0.01);(183.0,0.013);(184.0,0.005);(185.0,0.014);(186.0,0.012);(187.0,0.005);(188.0,0.014);(189.0,0.011);(190.0,0.015);(191.0,0.045);(192.0,0.124);(193.0,0.037);(194.0,0.026);(195.0,0.013);(196.0,0.009);(197.0,0.005);(198.0,0.008);(199.0,0.005);(200.0,0.054);(201.0,0.011);(202.0,0.011);(203.0,0.009);(204.0,0.017);(205.0,0.019);(206.0,0.073);(207.0,0.026);(208.0,0.031);(209.0,0.015);(210.0,0.008);(211.0,0.004);(212.0,0.002);(213.0,0.001);(214.0,0.002);(215.0,0.006);(216.0,0.019);(217.0,0.011);(218.0,0.015);(219.0,0.008);(220.0,0.023);(221.0,0.054);(222.0,0.036);(223.0,0.02);(224.0,0.007);(225.0,0.002);(226.0,0.002);(227.0,0.002);(228.0,0.004);(229.0,0.007);(230.0,0.01);(231.0,0.07);(232.0,0.112);(233.0,0.043);(234.0,0.019);(235.0,0.015);(236.0,0.047);(237.0,0.036);(238.0,0.016);(239.0,0.009);(240.0,0.003);(241.0,0.002);(242.0,0.018);(243.0,0.008);(244.0,0.013);(245.0,0.03);(246.0,0.023);(247.0,0.033);(248.0,0.028);(249.0,0.034);(250.0,0.026);(251.0,0.021);(252.0,0.006);(253.0,0.003);(254.0,0.001);(255.0,0.002);(256.0,0.016);(257.0,0.032);(258.0,0.037);(259.0,0.011);(260.0,0.023);(261.0,0.01);(262.0,0.018);(263.0,0.082);(264.0,0.355);(265.0,0.101);(266.0,0.046);(267.0,0.009);(268.0,0.002);(269.0,0.002);(270.0,0.011);(271.0,0.023);(272.0,0.212);(273.0,0.053);(274.0,0.037);(275.0,0.01);(276.0,0.011);(277.0,0.023);(278.0,0.05);(279.0,0.038);(280.0,0.035);(281.0,0.009);(282.0,0.003);(283.0,0.001);(284.0,0.001);(285.0,0.001);(286.0,0.002);(287.0,0.001);(288.0,0.004);(289.0,0.006);(290.0,0.016);(291.0,0.006);(292.0,0.069);(293.0,0.019);(294.0,0.007);(295.0,0.004);(296.0,0.002);(297.0,0.001);(298.0,0.001);(299.0,0.001);(300.0,0.004);(301.0,0.003);(302.0,0.008);(303.0,0.03);(304.0,1.0);(305.0,0.332);(306.0,0.128);(307.0,0.027);(308.0,0.006);(309.0,0.003);(310.0,0.002);(311.0,0.001);(312.0,0.002);(313.0,0.002);(314.0,0.019);(315.0,0.009);(316.0,0.012);(317.0,0.009);(318.0,0.022);(319.0,0.009);(320.0,0.003);(321.0,0.004);(322.0,0.003);(323.0,0.002);(324.0,0.002);(325.0,0.001);(326.0,0.002);(327.0,0.002);(328.0,0.004);(329.0,0.006);(330.0,0.072);(331.0,0.04);(332.0,0.373);(333.0,0.115);(334.0,0.042);(335.0,0.01);(336.0,0.011);(337.0,0.005);(338.0,0.003);(339.0,0.002);(340.0,0.001);(341.0,0.001);(342.0,0.002);(343.0,0.004);(344.0,0.046);(345.0,0.133);(346.0,0.694);(347.0,0.239);(348.0,0.084);(349.0,0.018);(350.0,0.004);(351.0,0.003);(352.0,0.003);(353.0,0.002);(354.0,0.001);(355.0,0.001);(356.0,0.001);(360.0,0.0);(361.0,0.0);(362.0,0.01);(363.0,0.004);(364.0,0.001);(365.0,0.002);(366.0,0.002);(367.0,0.001);(369.0,0.0);(370.0,0.001);(371.0,0.0);(372.0,0.0);(373.0,0.0);(377.0,0.0);(379.0,0.001);(381.0,0.001);(383.0,0.0);(384.0,0.001);(386.0,0.001);(387.0,0.0);(388.0,0.001);(389.0,0.001);(390.0,0.001);(400.0,0.0);(402.0,0.0);(403.0,0.001);(404.0,0.001);(405.0,0.002);(406.0,0.001);(407.0,0.001);(418.0,0.0);(419.0,0.008);(420.0,0.096);(421.0,0.043);(422.0,0.019);(423.0,0.006);(424.0,0.001);(425.0,0.001);(426.0,0.0);(428.0,0.001);(430.0,0.0);(432.0,0.0);(433.0,0.004);(434.0,0.03);(435.0,0.045);(436.0,0.021);(437.0,0.008);(438.0,0.002);(443.0,0.001);(444.0,0.0);(477.0,0.0);(481.0,0.001);(488.0,0.0);(496.0,0.0);(504.0,0.0);(547.0,0.0);(548.0,0.001);(568.0,0.0);(598.0,0.0)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(26.00252462,2.760424112);(28.01817382,2.957236368);(31.01783932,1.905832125);(39.02292522,2.308295532);(57.03348852,2.237182281);(81.03214482,4.632519324);(83.04779402,2.447741023);(85.06344322,2.062037651);(93.03214482,2.34375251);(94.03996942,3.275267072);(107.035218,2.910721632);(108.0430426,2.616637921);(134.0461158,1.722060182);(135.0539404,2.599666021);(148.061765,2.627412653);(161.0821656,1.783855959);(162.0774142,2.094813795);(187.0852388,4.632458953);(188.0692551,3.597369953);(188.0930634,3.874731065);(189.0770797,2.665289356);(189.100888,3.890421837);(190.0849043,4.517988007);(190.1087126,2.165919371);(191.0927289,3.833162012);(192.1005535,9.694767951);(193.1083781,3.255326674);(201.100888,4.851935611);(202.1087126,3.747946942);(204.0879775,3.54317873);(219.1114513,2.444047377)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.03115062,0.9414018648);(71.03115062,1.405430954);(73.04679982,7.826399959);(75.02606472,1.94426919);(75.06244902,1.551282553);(89.04171392,4.365452636);(91.05736312,1.567652346);(94.03996942,1.206716892);(103.0573631,1.937929992);(107.035218,1.068227069);(129.0730123,1.295832752);(134.0461158,0.8804008147);(135.0539404,1.514578147);(148.061765,1.607701018);(157.1043107,1.211843297);(160.061765,0.9561098143);(162.0774142,0.8548524132);(187.0852388,1.070069758);(188.0930634,3.229176208);(189.100888,0.8871976571);(201.100888,0.9745346405);(202.1087126,3.311332386);(218.1036267,1.209200317);(219.1114513,0.9641798375);(249.1166035,1.413823706);(260.1087789,0.9086668844);(262.1244281,1.081654905);(263.1322527,1.11119524);(264.1400773,2.494791686);(276.1275013,4.027114175);(277.1294047,0.8312725861)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(26.00252462,1.169146186);(27.02292522,0.9278945227);(31.01783932,1.434938185);(39.02292522,1.133224807);(57.03348852,1.289094404);(81.03214482,1.242174297);(85.06478692,0.8249440805);(134.0461158,2.456766351);(135.0539404,1.762239201);(136.061765,1.249419257);(148.061765,4.651448821);(160.061765,0.8329686652);(161.0821656,0.8424283994);(162.0774142,1.148940849);(177.0896557,0.8926513283);(187.0852388,2.782456874);(188.0692551,1.792402151);(188.0930634,2.224251882);(189.0770797,1.418604356);(189.100888,2.299489796);(190.0849043,2.081237832);(190.1087126,1.775043886);(191.0927289,1.744243114);(191.1165372,0.8037008938);(192.1005535,4.447810176);(193.1083781,1.822183709);(201.100888,1.988382929);(202.1087126,2.055633466);(204.0879775,1.663542028);(218.1036267,0.9360266723);(219.1114513,1.409463976)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(26.00252462,1.169146186);(27.02292522,0.9278945227);(31.01783932,1.434938185);(39.02292522,1.133224807);(57.03348852,1.289094404);(81.03214482,1.242174297);(85.06478692,0.8249440805);(134.0461158,2.456766351);(135.0539404,1.762239201);(136.061765,1.249419257);(148.061765,4.651448821);(160.061765,0.8329686652);(161.0821656,0.8424283994);(162.0774142,1.148940849);(177.0896557,0.8926513283);(187.0852388,2.782456874);(188.0692551,1.792402151);(188.0930634,2.224251882);(189.0770797,1.418604356);(189.100888,2.299489796);(190.0849043,2.081237832);(190.1087126,1.775043886);(191.0927289,1.744243114);(191.1165372,0.8037008938);(192.1005535,4.447810176);(193.1083781,1.822183709);(201.100888,1.988382929);(202.1087126,2.055633466);(204.0879775,1.663542028);(218.1036267,0.9360266723);(219.1114513,1.409463976)
LC-MS/MS	LC-ESI-qTof	Positive	Not Available	View Spectrum	(95.0952,124.0);(95.442932,140.0);(95.563522,160.0);(95.770836,40.0);(97.540649,152.0);(97.770767,236.0);(98.227806,128.0);(98.275215,236.0);(98.664284,144.0);(98.808647,160.0);(99.353447,260.0);(99.573776,120.0);(99.949486,176.0);(100.0271,176.0);(100.138603,156.0);(100.772942,64.0);(100.792923,240.0);(101.004837,228.0);(101.202957,200.0);(101.50351,56.0);(101.794464,212.0);(102.015472,172.0);(102.047615,816.0);(102.25885,188.0);(102.512596,276.0);(102.675888,204.0);(102.83931,216.0);(103.014977,180.0);(103.052269,340.0);(103.105896,136.0);(103.304039,68.0);(103.522629,184.0);(103.832687,140.0);(104.041679,144.0);(104.191963,140.0);(104.309822,200.0);(104.393181,52.0);(104.470467,20.0);(104.48674,152.0);(105.046959,144.0);(106.042458,316.0);(106.70163,160.0);(106.964325,120.0);(107.045242,168.0);(107.206741,160.0);(107.348152,160.0);(107.362587,128.0);(108.020386,384.0);(108.499809,36.0);(108.709778,136.0);(108.732117,52.0);(109.029099,144.0);(109.193336,112.0);(109.247414,104.0);(109.743073,152.0);(109.880722,144.0);(109.982971,44.0);(110.616318,132.0);(111.003906,64.0);(112.196037,112.0);(113.975983,140.0);(114.194939,32.0);(114.211952,48.0);(115.797775,176.0);(115.836327,172.0);(116.129974,84.0);(116.327377,72.0);(116.419701,132.0);(116.557182,132.0);(116.793655,128.0);(116.828072,156.0);(116.948578,92.0);(117.030609,332.0);(117.062675,136.0);(117.170372,144.0);(117.388062,148.0);(117.534737,212.0);(117.672874,92.0);(117.860779,128.0);(118.042168,1020.0);(118.193764,68.0);(118.245697,80.0);(118.308464,100.0);(118.713631,208.0);(118.836449,264.0);(119.047379,232.0);(119.080391,136.0);(119.767685,172.0);(120.018028,544.0);(120.081535,164.0);(120.411087,188.0);(120.902977,192.0);(121.027847,756.0);(121.073738,208.0);(121.20517,96.0);(121.448509,196.0);(121.797501,128.0);(122.030434,60.0);(122.0942,116.0);(122.276802,108.0);(123.043884,188.0);(124.086723,152.0);(124.329895,212.0);(124.51638,116.0);(124.774132,164.0);(124.871971,144.0);(125.656059,152.0);(126.008804,128.0);(126.33297,148.0);(126.870422,176.0);(127.701225,188.0);(128.014038,180.0);(128.05986,196.0);(128.077103,216.0);(128.169464,136.0);(128.374588,160.0);(129.076859,140.0);(129.185425,144.0);(129.321182,136.0);(129.547607,196.0);(129.656372,164.0);(129.794647,60.0);(130.080505,100.0);(130.191757,160.0);(130.284882,148.0);(131.12677,32.0);(131.172363,164.0);(131.628647,172.0);(132.042267,148.0);(132.671936,160.0);(132.850815,184.0);(132.889816,176.0);(133.0298,120.0);(133.284729,164.0);(133.489304,156.0);(134.036087,852.0);(134.150085,88.0);(134.283813,172.0);(134.341476,44.0);(134.433762,76.0);(134.995102,208.0);(135.043777,1496.0);(135.187103,76.0);(136.014954,848.0);(136.046982,180.0);(136.686127,88.0);(136.87001,164.0);(136.974808,176.0);(137.023605,908.0);(137.051682,172.0);(137.261459,152.0);(137.487747,152.0);(137.765594,204.0);(137.947861,96.0);(138.015656,144.0);(138.83522,140.0);(139.051056,160.0);(139.292892,168.0);(139.323441,172.0);(139.349274,152.0);(140.054993,132.0);(140.172791,200.0);(140.450974,168.0);(140.60434,176.0);(141.53334,140.0);(141.561752,172.0);(141.59964,52.0);(141.955109,172.0);(142.054733,132.0);(143.802994,240.0);(144.300446,172.0);(144.424789,80.0);(144.506134,148.0);(144.759842,188.0);(144.862823,148.0);(145.028198,444.0);(145.332718,108.0);(145.447906,208.0);(145.505524,100.0);(145.62558,160.0);(145.959625,152.0);(145.993286,124.0);(146.036728,7032.0);(146.162582,84.0);(146.204987,64.0);(146.260345,88.0);(146.631256,48.0);(147.007462,140.0);(147.03978,552.0);(147.077438,104.0);(147.113647,180.0);(147.210236,80.0);(147.263351,76.0);(147.328583,28.0);(147.401062,92.0);(147.43248,84.0);(147.514648,180.0);(147.577499,92.0);(147.802444,152.0);(147.877457,224.0);(147.974289,80.0);(148.013763,160.0);(148.042084,72.0);(148.073563,52.0);(148.114746,40.0);(148.148651,60.0);(149.024826,604.0);(149.571625,120.0);(149.827316,84.0);(150.007645,136.0);(150.030762,812.0);(150.163696,116.0);(150.302734,188.0);(150.344223,160.0);(150.49556,96.0);(151.040024,2324.0);(151.131042,256.0);(151.383163,68.0);(151.515427,96.0);(151.55217,56.0);(151.731094,120.0);(152.005783,136.0);(152.047562,456.0);(152.762497,56.0);(153.015976,220.0);(153.099686,164.0);(153.516159,156.0);(154.080429,212.0);(154.474442,96.0);(154.739243,180.0);(155.004257,120.0);(155.190155,136.0);(155.525055,60.0);(155.835464,104.0);(156.049194,184.0);(156.44725,188.0);(157.165024,152.0);(157.212433,188.0);(157.359695,212.0);(157.52951,248.0);(157.95195,256.0);(158.590439,68.0);(158.936508,96.0);(159.569443,144.0);(159.725357,60.0);(160.015472,124.0);(160.052505,144.0);(160.35733,168.0);(160.380005,100.0);(160.559021,156.0);(160.914795,208.0);(161.021286,320.0);(161.185059,40.0);(161.291199,68.0);(161.460587,144.0);(161.85788,152.0);(162.030609,900.0);(162.230316,180.0);(163.039871,416.0);(163.17215,52.0);(163.515549,164.0);(163.676392,196.0);(163.815994,124.0);(163.87204,36.0);(163.94339,148.0);(163.981613,200.0);(164.009583,3000.0);(164.048798,464.0);(164.285049,112.0);(164.348831,60.0);(164.496841,40.0);(165.01799,5020.0);(165.048676,216.0);(165.068588,440.0);(165.085464,72.0);(165.163757,72.0);(165.575821,68.0);(165.61937,40.0);(165.639847,148.0);(165.678284,108.0);(165.865341,248.0);(165.96019,124.0);(165.988403,52.0);(166.019302,332.0);(166.124329,40.0);(166.178207,84.0);(166.196167,156.0);(166.345016,40.0);(167.020798,172.0);(167.126266,92.0);(167.285828,112.0);(167.339905,44.0);(167.522751,188.0);(168.053497,176.0);(168.324844,212.0);(168.885635,188.0);(168.911499,144.0);(169.062088,156.0);(169.434402,160.0);(169.753204,180.0);(170.074905,152.0);(171.05484,176.0);(171.583664,72.0);(171.612335,140.0);(172.053253,200.0);(172.889648,160.0);(173.020493,172.0);(173.070267,220.0);(174.026016,300.0);(174.124435,40.0);(174.971115,156.0);(176.670654,148.0);(176.691818,96.0);(177.017303,1332.0);(177.054443,100.0);(177.147141,152.0);(177.276962,172.0);(177.40419,276.0);(177.502289,40.0);(177.536758,252.0);(177.756927,100.0);(177.802048,68.0);(177.871048,164.0);(177.982452,208.0);(178.026123,10408.0);(178.080048,140.0);(178.117996,60.0);(178.149063,120.0);(178.30397,20.0);(178.561859,28.0);(178.618668,148.0);(178.648941,108.0);(178.750732,48.0);(178.790649,44.0);(178.849197,172.0);(178.939713,148.0);(179.033646,11300.0);(179.072922,160.0);(179.104813,64.0);(179.139435,40.0);(179.179398,80.0);(179.35527,52.0);(179.507233,128.0);(179.557907,56.0);(179.672592,92.0);(179.75264,104.0);(179.806015,100.0);(179.85939,148.0);(180.003555,56.0);(180.035522,1180.0);(180.107712,132.0);(180.187851,140.0);(180.254639,68.0);(180.342834,40.0);(180.484528,56.0);(180.503235,60.0);(180.583466,84.0);(180.679764,60.0);(181.038422,332.0);(181.065201,304.0);(181.094666,68.0);(181.207169,120.0);(181.258072,108.0);(181.32077,192.0);(181.380569,136.0);(181.703156,176.0);(181.783646,52.0);(181.952744,160.0);(182.033295,152.0);(182.074448,160.0);(182.097733,64.0);(182.430923,128.0);(182.820923,52.0);(182.982422,100.0);(183.559006,184.0);(183.963699,184.0);(184.049377,364.0);(184.28508,72.0);(185.001755,224.0);(185.03154,176.0);(185.058609,100.0);(185.115463,124.0);(185.532715,192.0);(186.059006,112.0);(187.010406,204.0);(187.1819,192.0);(188.011536,176.0);(189.019684,1040.0);(190.020905,260.0);(190.282486,136.0);(190.870453,176.0);(190.980453,88.0);(191.033417,1304.0);(191.184036,108.0);(191.586029,44.0);(191.974655,224.0);(192.04155,1324.0);(192.087738,104.0);(192.170502,132.0);(192.656387,164.0);(193.012283,2300.0);(193.173325,80.0);(193.275681,100.0);(194.019028,160.0);(194.084473,212.0);(194.336868,128.0);(195.020004,168.0);(195.554016,100.0);(196.03714,92.0);(196.395432,144.0);(196.811249,132.0);(196.900604,196.0);(197.053802,364.0);(197.210724,156.0);(197.593811,84.0);(198.063156,188.0);(199.037247,116.0);(199.11026,260.0);(199.467072,200.0);(200.483109,180.0);(201.05275,200.0);(202.211456,140.0);(202.826065,84.0);(202.882767,88.0);(203.214584,188.0);(203.313889,228.0);(205.225418,56.0);(207.627396,152.0);(207.788025,148.0);(208.037827,1764.0);(208.112335,52.0);(209.038513,428.0);(209.556168,80.0);(209.79982,212.0);(210.067123,448.0);(210.305923,76.0);(210.692856,68.0);(211.042557,140.0);(211.902161,200.0);(212.04451,308.0);(212.664795,132.0);(212.976746,128.0);(213.016129,100.0);(213.052658,488.0);(213.236954,188.0);(213.696396,152.0);(216.586441,164.0);(216.794449,112.0);(218.091644,172.0);(218.782913,108.0);(219.033203,184.0);(219.714157,148.0);(220.049484,148.0);(220.608948,20.0);(220.662155,128.0);(220.789307,96.0);(221.05867,312.0);(221.085144,40.0);(221.360443,224.0);(223.075287,120.0);(224.051361,208.0);(225.046036,140.0);(225.084518,148.0);(225.746674,128.0);(226.064056,488.0);(227.031357,164.0);(227.073349,152.0);(227.103333,68.0);(227.151321,172.0);(227.187317,40.0);(228.031067,148.0);(228.079163,144.0);(228.181366,188.0);(228.545288,92.0);(228.852295,112.0);(229.240845,184.0);(229.726257,204.0);(231.970016,144.0);(232.634338,176.0);(232.682922,60.0);(233.071671,140.0);(233.91713,220.0);(233.959747,160.0);(234.249054,40.0);(235.466034,112.0);(236.045914,360.0);(236.851532,132.0);(237.055161,648.0);(237.443069,196.0);(238.059738,604.0);(238.228821,148.0);(238.268753,32.0);(238.547928,196.0);(239.031723,220.0);(239.063431,144.0);(239.200531,52.0);(240.037323,424.0);(240.106369,212.0);(240.143372,132.0);(240.22049,124.0);(240.430298,120.0);(241.050385,412.0);(241.081894,156.0);(241.489975,212.0);(242.054916,160.0);(242.428024,120.0);(243.87735,88.0);(244.037003,300.0);(244.414749,104.0);(245.483765,120.0);(247.036011,72.0);(247.536774,100.0);(247.884476,120.0);(249.052658,176.0);(249.972656,112.0);(252.066437,60.0);(252.154907,164.0);(253.049561,1408.0);(253.097595,144.0);(253.126099,164.0);(253.461853,180.0);(254.053635,564.0);(254.629227,148.0);(254.902435,52.0);(255.070877,192.0);(257.003937,52.0);(258.016388,176.0);(259.255066,104.0);(260.098572,148.0);(260.246246,128.0);(260.695923,156.0);(261.892731,128.0);(262.35672,204.0);(264.043915,316.0);(264.223358,148.0);(265.043671,688.0);(265.149414,136.0);(266.058746,168.0);(267.025909,180.0);(267.250366,144.0);(267.728851,96.0);(268.044586,120.0);(268.286011,84.0);(268.922089,188.0);(269.044556,300.0);(269.264893,64.0);(269.375946,104.0);(270.078705,152.0);(271.051025,220.0);(272.034912,120.0);(272.603088,148.0);(272.698395,28.0);(272.741119,40.0);(273.007446,56.0);(274.964294,192.0);(275.258087,192.0);(276.878448,216.0);(278.012238,96.0);(278.065338,92.0);(279.58078,96.0);(279.763824,144.0);(281.041962,1652.0);(281.487549,48.0);(281.530945,32.0);(281.988647,48.0);(282.051697,1204.0);(283.047638,232.0);(284.064941,180.0);(285.246552,180.0);(285.39447,260.0);(285.878845,180.0);(287.14032,156.0);(288.185211,148.0);(290.032928,200.0);(291.030304,64.0);(291.448059,56.0);(291.849121,112.0);(292.774689,128.0);(292.951813,108.0);(293.008667,196.0);(293.04834,332.0);(294.051086,740.0);(294.531128,48.0);(294.684845,40.0);(295.050537,148.0);(295.563568,200.0);(296.026337,160.0);(296.834351,36.0);(297.041809,312.0);(297.08609,140.0);(298.121613,28.0);(298.231598,84.0);(298.98822,160.0);(299.938812,168.0);(300.483673,88.0);(300.611328,88.0);(301.962067,84.0);(302.110809,128.0);(302.197296,144.0);(304.780365,180.0);(306.579376,68.0);(306.966309,144.0);(307.409332,112.0);(307.671112,72.0);(308.065704,108.0);(308.170532,64.0);(308.547974,156.0);(308.999115,28.0);(309.036621,640.0);(309.07486,1144.0);(309.111084,240.0);(309.377075,244.0);(309.485626,152.0);(309.6362,52.0);(309.776276,52.0);(309.962769,228.0);(310.045929,4512.0);(310.203796,56.0);(310.526367,48.0);(310.733337,48.0);(311.053589,1008.0);(311.47403,80.0);(312.051636,292.0);(312.215607,136.0);(312.38446,52.0);(312.637756,112.0);(312.915833,68.0);(313.081329,112.0);(313.120056,116.0);(314.283356,72.0);(314.837524,60.0);(316.619904,100.0);(318.240417,72.0);(320.025238,164.0);(321.036072,584.0);(321.379639,200.0);(322.041046,72.0);(323.982361,96.0);(325.067657,148.0);(325.45636,80.0);(326.07782,180.0);(326.286316,48.0);(327.812408,92.0);(330.032288,184.0);(334.731171,36.0);(334.916901,96.0);(335.033478,144.0);(335.05899,160.0);(335.095398,108.0);(336.641937,108.0);(336.795319,116.0);(336.879333,60.0);(336.96701,176.0);(337.035004,1828.0);(337.379974,172.0);(337.515259,92.0);(337.555481,80.0);(337.859039,68.0);(337.947906,156.0);(338.040985,9020.0);(338.126495,128.0);(338.290863,48.0);(338.327484,148.0);(338.360413,72.0);(338.488586,84.0);(339.045319,2140.0);(339.184662,64.0);(339.254303,80.0);(339.422943,220.0);(339.525635,96.0);(340.054626,464.0);(340.105316,172.0);(340.219086,88.0);(340.343933,36.0);(340.417358,92.0);(340.56427,68.0);(340.799377,152.0);(341.218353,68.0);(341.36911,100.0);(342.185944,112.0);(342.410553,48.0);(342.528412,60.0);(342.749451,60.0);(343.859436,128.0);(344.221222,88.0);(344.967529,84.0);(346.833099,72.0);(347.47464,192.0);(348.688843,120.0);(348.792908,96.0);(350.732178,92.0);(351.041595,292.0);(351.198242,120.0);(351.29895,88.0);(352.191071,96.0);(352.702972,136.0);(352.852478,112.0);(352.945953,152.0);(353.064972,8448.0);(353.132935,128.0);(353.166046,136.0);(353.329254,116.0);(353.376068,44.0);(353.471375,128.0);(353.630524,48.0);(353.724121,28.0);(353.77652,172.0);(353.959198,232.0);(353.989929,136.0);(354.067383,1740.0);(354.420685,48.0);(354.838989,92.0);(355.071594,288.0);(355.237976,28.0);(355.28299,72.0);(355.371002,84.0);(355.643219,76.0);(355.80838,76.0);(355.858612,72.0);(355.91925,40.0);(355.988617,40.0);(356.146332,96.0);(356.289093,68.0);(356.353455,148.0);(356.559631,140.0);(356.928009,92.0);(357.977844,112.0);(362.635925,108.0);(362.69278,124.0);(365.563934,56.0);(365.883667,116.0);(372.311188,40.0);(376.068726,52.0);(379.038757,100.0);(389.301941,88.0);(401.610474,44.0);(439.802277,48.0);(455.015961,148.0);(488.22702,104.0);(499.145172,80.0);(506.491028,108.0);(524.374634,104.0);(524.93988,92.0);(526.117065,84.0);(549.395386,60.0);(580.869934,108.0);(618.733765,68.0);(635.038269,104.0);(638.936218,68.0);(657.639893,20.0);(702.408386,68.0);(715.36438,72.0);(718.775269,84.0);(775.278564,44.0);(778.285034,44.0);(799.330078,92.0);(819.783813,108.0);(826.882324,144.0);(826.945251,144.0);(829.052795,76.0);(831.955017,88.0);(868.543335,172.0);(873.583191,132.0);(894.322998,160.0);(924.602478,204.0);(964.09198,56.0);(1012.06665,172.0);(1025.260132,140.0);(1028.678711,148.0);(1036.282593,176.0);(1036.609375,144.0);(1045.197144,84.0);(1045.258789,72.0);(1058.977051,132.0);(1066.574829,148.0);(1073.175781,172.0);(1088.867676,176.0);(1110.283325,96.0);(1120.679565,108.0);(1123.939941,136.0);(1124.060059,64.0);(1142.505127,128.0);(1144.079834,156.0);(1164.649902,188.0);(1171.744873,108.0);(1172.235474,168.0);(1194.685791,112.0);(1204.329102,172.0);(1209.881714,208.0);(1219.662598,196.0);(1228.031616,152.0);(1236.814209,184.0);(1237.143188,128.0);(1241.234863,156.0);(1245.4104,212.0);(1251.141235,112.0);(1252.922974,60.0);(1271.874268,124.0);(1276.869019,208.0);(1279.943237,128.0);(1290.646118,156.0);(1292.66394,204.0);(1294.552979,76.0);(1298.716797,88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LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(78.6,0.011975);(92.6,0.227518);(124.0,0.077835);(132.6,0.053886);(133.9,0.514908);(149.9,0.083822);(156.7,0.053886);(158.1,0.443061);(159.9,2.394923);(167.0,0.017962);(171.3,0.077835);(172.1,0.119746);(181.7,0.095797);(185.1,0.173632);(188.1,0.299365);(188.7,0.035924);(200.0,0.293378);(200.5,0.472997);(216.1,0.017962);(218.3,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(45.5,0.099325);(88.0,0.099325);(93.0,0.735002);(98.1,0.11919);(102.8,0.059595);(107.2,0.437028);(113.9,0.357569);(114.8,0.158919);(116.0,1.450139);(117.6,0.059595);(132.3,0.754867);(133.0,12.793008);(133.9,76.559396);(135.9,0.139054);(142.2,0.11919);(143.6,0.178784);(144.1,0.278109);(146.1,0.417163);(147.1,0.158919);(148.0,0.178784);(150.3,0.576083);(157.1,0.218514);(158.4,1.17203);(160.1,10.170838);(171.3,0.07946);(172.2,0.357569);(173.6,0.198649);(175.4,0.11919);(182.1,0.258244);(185.0,0.675407);(187.1,0.635677);(188.4,22.566547);(190.6,0.218514);(200.4,30.830354);(216.2,0.576083);(216.5,0.357569);(218.3,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(43.9,0.367557);(44.8,0.294046);(46.3,0.147023);(59.3,0.343053);(70.8,0.245038);(79.3,0.416565);(88.1,0.220534);(91.9,4.38618);(98.4,0.147023);(106.1,1.592747);(107.2,7.620681);(114.0,0.51458);(115.2,0.686106);(115.9,3.234501);(116.9,1.102671);(118.2,1.764273);(119.2,0.269542);(120.7,0.171527);(124.3,0.367557);(132.2,3.528547);(133.0,75.888263);(134.0,100.0);(140.9,0.098015);(144.0,2.205342);(145.5,0.465572);(146.0,1.788777);(148.4,0.147023);(156.9,0.269542);(157.9,2.695418);(159.5,0.539084);(160.2,2.033815);(172.4,0.661603);(173.1,1.690762);(183.0,0.098015);(184.2,0.833129);(186.1,2.009311);(187.1,1.053663);(188.2,6.787552);(190.4,0.098015);(198.4,0.490076);(200.5,14.800294);(216.3,0.19603);(218.3,3.381524)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(43.8,1.055966);(45.0,0.739176);(46.1,0.31679);(65.1,0.897571);(65.9,0.844773);(78.2,0.263992);(79.0,3.220697);(80.2,0.369588);(90.2,0.422386);(92.0,17.317846);(97.1,0.369588);(104.5,0.158395);(105.9,13.410771);(107.3,32.470961);(116.9,9.239704);(118.2,5.966209);(118.4,2.428722);(124.4,0.63358);(132.1,39.598733);(133.0,100.0);(134.0,72.122492);(144.0,5.068638);(144.5,1.003168);(146.1,2.639916);(158.2,7.127772);(158.6,0.31679);(160.1,2.428722);(171.6,0.422386);(172.2,1.055966);(173.1,0.791975);(184.4,2.111932);(186.0,5.491024);(188.7,0.475185);(200.3,2.903907)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(44.0,4.104478);(64.9,1.616915);(65.3,2.61194);(66.0,7.462687);(67.7,1.616915);(79.0,11.19403);(90.1,4.850746);(92.1,32.835821);(105.1,3.606965);(106.3,35.945274);(107.1,46.517413);(116.6,1.616915);(116.9,42.537313);(117.6,6.840796);(119.0,7.587065);(132.1,100.0);(133.2,58.333333);(133.9,28.606965);(144.1,7.960199);(146.0,1.741294);(158.0,6.59204);(159.8,1.616915);(171.4,0.995025);(171.7,0.746269);(184.0,2.238806);(186.1,3.731343);(200.3,0.373134)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(92.0255,9.283621);(107.0365,13.529153);(117.021,11.382948);(132.0316,21.374158);(133.0397,71.842953);(134.0473,100.0);(188.0943,23.762086);(200.0939,34.837386);(218.1042,98.959859)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(100.8625,0.623053);(104.999,0.571132);(106.0281,0.752856);(107.0346,1.012461);(133.0373,5.192108);(134.0395,0.649013);(134.047,39.122534);(134.0796,1.479751);(134.1545,0.752856);(137.3672,1.012461);(173.0133,1.220145);(188.0943,15.238837);(188.1119,0.804777);(188.133,0.882658);(200.0939,21.469367);(200.1373,1.168224);(216.9971,0.597092);(217.9687,0.597092);(218.0063,1.349948);(218.1038,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.0346,8.475232);(117.0209,1.664087);(118.0318,1.393189);(119.035,1.393189);(119.0472,0.812693);(123.9015,1.160991);(124.4101,0.928793);(132.0328,8.591331);(133.0383,60.216718);(133.0717,2.786378);(133.1477,0.851393);(133.6319,0.928793);(134.0462,100.0);(134.081,4.179567);(134.1028,1.780186);(134.12,1.006192);(134.1531,1.19969);(144.0348,1.19969);(145.051,0.812693);(146.0424,2.902477);(146.0773,1.160991);(158.0448,3.482972);(160.0582,2.205882);(160.0672,1.160991);(160.084,0.851393);(173.0821,1.857585);(184.0596,2.012384);(185.6797,4.024768);(186.0854,2.863777);(187.0866,3.057276);(188.0936,15.518576);(188.1284,0.928793);(189.0432,0.773994);(200.0924,35.565015);(200.1365,1.818885);(200.4886,0.812693);(218.1057,13.77709)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(105.0204,5.409253);(106.0286,32.170819);(107.0362,40.640569);(111.4156,2.064057);(117.0218,30.391459);(118.0279,4.626335);(119.0375,10.24911);(124.8583,1.992883);(130.0319,1.637011);(132.031,100.0);(132.0712,2.419929);(133.0395,60.355872);(133.0714,2.135231);(134.0455,43.914591);(144.037,4.128114);(146.0517,7.97153);(147.5352,1.565836);(158.0066,2.491103);(158.0465,6.619217);(174.1394,2.064057);(184.0642,1.637011);(186.0776,7.97153)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(133.330671,1.114926);(134.224545,43.851452);(160.269619,0.698784);(172.276857,0.733422);(188.262015,58.924259);(190.257316,0.946636);(200.179245,100.0);(218.146231,3.064314)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(133.276418,1.074569);(134.188349,38.852121);(160.232001,0.69029);(172.238428,0.720831);(188.228982,51.836263);(190.229038,0.945132);(200.174546,100.0);(218.127146,0.919427)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(218.161547,100.0)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(218.165261,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(85.7,0.065732);(86.2,0.131464);(87.0,0.138767);(90.9,0.051125);(98.9,0.080339);(100.0,0.051125);(102.2,0.051125);(105.4,0.043821);(113.1,0.087642);(117.9,0.021911);(124.3,0.051125);(125.1,0.065732);(128.7,0.073035);(130.1,0.029214);(134.2,0.058428);(136.0,0.693836);(137.5,0.021911);(138.8,0.021911);(140.9,0.065732);(142.9,0.080339);(146.5,0.065732);(148.0,0.335963);(159.9,0.080339);(169.9,0.087642);(170.8,0.094946);(184.3,0.073035);(185.1,0.569676);(188.2,0.635408);(202.5,1.555653);(203.4,3.403447);(220.2,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(43.1,0.819403);(56.9,0.393314);(66.9,0.327761);(70.9,0.294985);(83.2,0.491642);(85.2,0.950508);(87.0,0.393314);(90.3,0.262209);(91.4,0.196657);(95.5,0.196657);(96.9,0.262209);(98.7,0.294985);(105.3,0.262209);(106.8,0.065552);(109.1,0.098328);(114.0,0.294985);(119.1,0.688299);(124.8,0.262209);(129.0,0.85218);(135.0,0.557194);(136.1,100.0);(139.0,0.098328);(141.1,0.360538);(142.4,0.229433);(143.0,0.557194);(147.3,0.360538);(148.3,16.060308);(148.9,0.163881);(152.4,0.163881);(156.9,0.229433);(158.9,0.524418);(164.2,0.42609);(169.5,0.098328);(170.3,0.196657);(171.4,0.557194);(174.9,0.884956);(185.2,6.719108);(188.3,0.917732);(202.3,31.792855);(203.2,3.769256);(205.1,0.131105);(220.3,91.215995)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(40.9,0.169895);(43.1,5.198777);(57.3,0.781515);(63.0,0.203874);(64.4,0.101937);(67.0,1.936799);(69.4,0.237853);(71.0,0.339789);(71.9,0.135916);(72.7,0.543663);(79.2,0.30581);(80.6,0.101937);(83.1,0.30581);(84.0,0.407747);(84.8,0.6456);(86.2,0.237853);(87.0,0.509684);(91.0,0.101937);(94.0,0.577642);(97.2,0.30581);(101.1,0.203874);(109.0,0.407747);(112.0,0.441726);(112.3,0.441726);(114.3,0.475705);(119.2,3.329935);(121.0,0.339789);(122.9,0.169895);(124.7,0.203874);(128.2,0.271831);(133.1,0.135916);(135.2,0.883452);(136.0,100.0);(137.1,0.509684);(142.8,0.747537);(144.9,0.203874);(148.2,8.460754);(157.5,0.407747);(159.3,1.461094);(170.0,0.135916);(171.2,0.339789);(175.3,0.611621);(185.1,4.587156);(186.9,0.407747);(202.4,2.208631);(203.2,0.849473);(203.5,0.237853);(220.2,1.630989)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(40.9,2.173913);(43.0,28.140097);(54.9,0.483092);(57.2,2.898551);(65.0,1.570048);(67.1,8.333333);(68.2,0.483092);(68.9,0.966184);(71.2,0.603865);(73.0,1.449275);(83.9,1.811594);(85.3,0.724638);(86.3,0.483092);(92.1,1.690821);(94.1,4.830918);(105.0,2.294686);(107.2,1.328502);(109.2,2.294686);(115.0,0.483092);(116.8,0.483092);(119.0,45.410628);(120.8,2.777778);(128.7,0.966184);(134.9,1.086957);(136.1,100.0);(137.0,3.019324);(148.2,4.830918);(157.5,1.086957);(158.2,0.845411);(185.0,2.05314)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(41.3,3.367003);(43.1,44.444444);(54.9,4.040404);(57.3,2.356902);(64.6,2.693603);(66.9,8.754209);(71.8,2.356902);(82.0,1.683502);(84.2,4.040404);(91.3,2.020202);(91.8,15.488215);(94.2,8.080808);(105.1,3.703704);(109.0,5.723906);(114.5,1.346801);(119.1,100.0);(136.3,35.016835);(136.9,6.397306);(144.9,1.346801)
LC-MS/MS	LC-ESI-IT	positive	Not Available	View Spectrum	(58.1,0.015381);(66.8,0.003116);(80.0,0.017341);(84.2,0.130718);(85.1,0.241397);(94.1,0.046234);(95.0,0.009482);(107.1,0.026761);(109.1,0.0082);(112.1,0.028866);(113.1,0.009739);(119.1,0.200082);(120.9,0.013228);(131.9,0.02058);(133.0,0.020132);(135.1,0.094902);(136.1,60.280207);(137.0,0.118952);(138.6,0.016861);(145.1,0.020752);(146.1,0.007937);(147.4,0.025745);(148.1,34.299591);(150.0,0.017775);(158.1,0.138671);(159.0,0.399954);(160.1,0.082559);(161.1,0.054203);(163.1,0.007151);(164.1,0.006411);(165.1,0.013388);(170.4,0.004942);(173.2,0.258594);(175.1,0.710276);(178.7,0.010425);(183.6,0.005588);(185.1,13.041255);(187.0,0.184344);(191.1,0.036878);(192.0,0.014137);(192.9,0.003818);(199.9,0.026021);(201.2,0.104906);(202.1,100.0);(203.1,0.265496);(205.1,0.005486);(220.1,3.289033);(221.0,0.007382);(222.0,0.006846);(233.7,0.022001);(264.6,0.045161)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(61.023521,0.672366);(62.814709,0.680534);(63.309452,0.640866);(63.926964,0.620981);(66.672829,0.775118);(66.948601,0.573059);(67.215691,0.636525);(67.891708,0.6027);(68.972641,0.571341);(69.423943,0.674026);(69.628021,0.690458);(69.890488,0.706838);(70.051979,0.561832);(71.496735,0.625882);(74.773033,1.447389);(74.776794,2.714971);(74.778717,0.745185);(74.780411,0.885978);(75.793877,0.613425);(78.467361,0.56907);(79.24073,0.656456);(80.399193,0.614705);(81.362671,0.668516);(83.719589,0.708599);(84.4207,0.621987);(86.204964,0.619762);(90.020332,0.63395);(90.693298,0.757672);(103.720695,0.69374);(104.226997,0.593257);(105.10273,0.682022);(108.750496,0.622956);(109.712273,1.337157);(115.50782,0.847421);(116.422104,0.618635);(117.631432,0.610107);(118.514297,0.748539);(121.173737,0.680231);(127.045677,0.751765);(127.132614,0.845807);(130.09761,0.87284);(130.193832,0.670436);(130.319305,0.631432);(130.430283,0.626168);(131.395447,0.646954);(135.040268,0.633156);(136.061447,24.910137);(137.067703,100.0);(137.861771,0.741667);(139.759705,0.696693);(148.061417,14.125372);(153.000397,3.037459);(156.984512,0.960134);(160.313126,0.63679);(161.51973,1.082247);(166.919434,0.728388);(167.269516,0.668948);(171.319061,0.668947);(178.768097,0.614133);(179.986221,0.639121);(182.681808,0.609651);(182.914795,0.633147);(182.966568,0.888949);(183.091217,0.906712);(183.716003,0.799133);(188.070648,1.277044);(188.100571,4.986275);(189.106812,5.094461);(190.112717,0.862591);(191.657333,0.714481);(192.937225,0.657461);(193.08313,1.956958);(194.976715,10.78164);(197.027191,0.799952);(206.133392,1.965654);(207.098618,4.568618);(207.139771,62.486086);(209.028793,1.858743);(214.168854,0.607327);(221.79245,0.689568);(224.849274,0.645803);(225.1091,1.506109);(225.138519,0.814858);(225.15036,21.105098);(225.195679,1.569099);(228.180954,0.657845);(231.098694,0.773838);(236.640091,0.743108)
LC-MS/MS	LC-ESI-ITFT	positive	Not Available	View Spectrum	(135.992233,0.337511);(136.038269,0.53691);(136.061279,93.422418);(136.064728,0.625959);(136.084351,0.544883);(136.130371,0.371341);(148.061218,26.505647);(159.065964,0.428101);(175.097351,0.953874);(185.08168,17.680839);(201.983261,0.323708);(202.06633,0.459154);(202.10257,0.849103);(202.108093,100.0);(202.114456,0.6702);(202.149963,0.509292);(202.233215,0.332721);(220.1185,22.487708);(299.095612,0.457379)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(135.865,34.119433);(147.865,11.614372);(155.751,2.002024);(169.861,2.087045);(184.917,4.078441);(201.905,29.777328);(219.969,100.0)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(66.798,2.242676);(118.888,5.245009);(127.632,1.087763);(135.857,100.0);(147.789,14.998704);(158.931,2.758621);(184.894,8.125486);(201.883,3.325123);(220.205,2.377495)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(54.523,1.041158);(56.854,3.018247);(64.761,1.207985);(66.727,6.376732);(81.872,1.209905);(91.831,5.103581);(93.876,6.25463);(104.56,1.436411);(108.743,3.115654);(118.8,68.212375);(119.303,1.399369);(120.845,1.808204);(127.595,2.474962);(134.341,2.450268);(135.127,5.165318);(135.87,100.0);(147.267,1.161065);(147.904,8.570449);(158.17,1.088078);(170.371,1.57086);(173.035,1.74098);(184.936,3.003155);(187.508,1.391137)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(119.0369,16.011645);(136.0629,100.0);(148.0634,14.643377);(185.0829,6.250364);(202.1102,18.049491);(220.1198,48.289665)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(119.0405,1.158301);(136.0611,100.0);(136.0959,3.513514);(136.1198,1.351351);(136.1693,1.660232);(148.0596,15.637066);(159.0637,0.965251);(175.0952,0.926641);(185.0803,7.181467);(202.1066,26.293436);(202.1221,0.772201);(202.1425,1.505792);(220.1176,57.606178)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(109.0526,0.981423);(119.035,7.886435);(136.0612,100.0);(136.0942,3.014371);(136.1166,1.822643);(136.143,0.876271);(136.1683,1.647389);(148.0611,7.886435);(159.0668,1.752541);(175.0958,0.946372);(185.0807,3.049422);(202.1031,2.348405);(202.1154,1.331931);(220.119,1.121626)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(109.0491,6.564885);(119.0342,100.0);(119.045,3.206107);(119.0693,3.206107);(121.0504,5.19084);(136.0601,34.656489)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(136.303087,94.426071);(148.269615,85.605017);(159.236868,0.6928);(175.278329,1.821114);(185.264254,32.125899);(202.202086,100.0);(203.124986,1.643441);(220.19565,6.971695)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(136.336881,99.957657);(148.301532,92.12509);(159.274943,0.759696);(175.312668,2.271543);(185.32696,43.990489);(202.213342,100.0);(203.142018,1.929532);(220.191942,20.567665);(221.162602,2.953839)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(95.769753,9.493671);(103.346413,7.383966);(105.512444,7.594937);(109.058067,11.603376);(113.042862,10.759494);(113.224915,4.219409);(116.782768,4.008439);(118.62027,6.540084);(119.034332,46.413502);(119.222305,2.742616);(119.686974,3.797468);(120.038826,6.962025);(121.968742,13.50211);(133.762939,10.759494);(134.060043,2.953586);(134.944077,8.227848);(134.96257,10.548523);(136.035217,10.337553);(136.061417,100.0);(136.0867,7.383966);(136.218674,2.742616);(137.048721,9.704641);(137.06456,19.409283);(141.334351,8.649789);(148.057953,17.721519);(160.057358,10.337553);(160.074997,11.392405);(161.076233,7.594937);(168.900955,8.649789);(172.071594,10.126582);(173.215851,3.164557);(173.235062,4.64135);(174.636734,8.649789);(176.929794,8.649789);(177.454346,2.320675);(178.95015,8.438819);(185.077194,7.172996);(202.106522,8.649789);(209.017502,9.07173);(209.083694,5.907173);(810.889038,10.126582);(811.382141,6.751055);(1056.794312,11.392405);(1339.227905,8.860759);(1355.951538,8.016878)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.0399,6.21);(43.0192,49.71);(55.0301,2.32);(57.0709,1.6);(65.015,3.5);(67.0302,6.73);(82.0409,2.6);(92.0251,16.6);(94.0407,8.38);(109.0512,5.25);(119.0354,100.0);(121.0556,1.03);(136.0619,41.04);(148.0621,2.45)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(107.0349,1.07);(132.0309,1.33);(133.0376,15.39);(134.0454,51.2);(188.0922,20.14);(200.0923,28.2);(218.1029,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(43.0193,12.17);(57.0708,1.16);(67.055,1.54);(119.0352,5.11);(136.062,100.0);(148.0618,7.52);(159.0663,1.36);(185.0818,4.06);(202.1082,4.02);(220.1191,3.33)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(43.0192,3.64);(119.0351,1.31);(136.062,74.32);(148.0617,10.32);(185.0822,3.87);(202.1085,22.6);(220.1195,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(92.024,5.41);(106.0269,2.09);(107.0352,8.58);(117.0195,2.15);(118.0269,1.95);(132.0303,6.91);(133.0378,74.27);(134.0457,100.0);(144.0299,2.17);(146.0464,2.35);(158.0456,3.7);(160.0619,2.12);(172.0605,1.13);(173.0796,2.04);(184.0608,1.13);(186.0759,2.66);(187.0834,1.48);(188.0923,12.75);(200.0922,26.71);(218.1034,7.21)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(64.0051,2.09);(65.0137,8.57);(66.0094,20.7);(68.0237,1.59);(79.0167,8.75);(90.0085,7.02);(92.0244,28.89);(105.0189,4.02);(106.0272,27.98);(107.035,38.68);(117.0193,45.3);(118.0274,6.85);(119.0347,6.01);(132.0301,100.0);(133.0381,61.23);(134.0458,34.21);(144.0303,9.13);(145.0488,1.24);(146.0453,3.17);(158.0461,9.39);(160.06,1.42);(172.06,2.1);(184.0605,2.46);(186.077,6.47)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(41.03912516,0.5180699027);(53.03912516,0.3963628467);(55.01838972,0.6121385205);(55.05477522,0.135268376);(57.03403978,0.6511020474);(59.04968984,2.064596113);(61.06533991,0.299100873);(67.05477522,2.138092613);(69.07042529,0.1179295837);(71.04968984,0.7634592021);(83.04968984,0.3277239656);(85.06533991,5.833476615);(134.0466701,0.2662913502);(135.0558378,0.1845090209);(136.0623202,4.109267753);(137.0714879,0.1957463423);(148.0623202,0.5402478428);(160.0623202,0.6164680444);(162.0779703,1.363348144);(164.0936203,0.1352686174);(175.0983714,0.629692988);(176.0823869,0.1319810953);(186.0779703,0.1948650816);(188.0936203,3.233054264);(190.1092704,1.360462842);(191.093286,0.2885196146);(193.108936,2.693750169);(202.1092704,34.54901566);(203.093286,0.2902315051);(204.0885349,0.1213752494);(220.1198351,35.23858375)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(41.03912516,0.5702582932);(53.03912516,2.465527344);(55.01838972,1.030552896);(55.05477522,0.5516079089);(57.03403978,1.429081879);(59.04968984,0.5598896178);(67.05477522,13.74383779);(69.07042529,1.128091823);(71.04968984,1.076420504);(85.06533991,8.175130561);(107.0357711,0.4095912125);(109.0514212,1.144170458);(134.0466701,0.7816283544);(136.0623202,14.56208085);(148.0623202,3.119902756);(150.0779703,0.408908382);(160.0623202,2.899176502);(160.0874723,1.446618922);(162.0779703,1.468325945);(164.0936203,0.9161353081);(174.0667369,0.5163396156);(175.0983714,5.743309315);(176.0823869,0.5450300596);(178.098037,0.8912635356);(186.0779703,0.5451584634);(188.0936203,1.409931231);(190.1092704,1.085857678);(191.093286,1.581196135);(193.108936,4.894505499);(202.1092704,17.88296832);(220.1198351,7.017502842)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,0.797953335);(41.03912516,6.115648455);(51.0234751,1.26863329);(53.03912516,18.02276613);(55.01838972,2.297754683);(55.0296231,4.275239096);(55.05477522,5.22306088);(57.03403978,1.743317758);(67.05477522,9.651277983);(68.02487206,0.9887939238);(69.03403978,1.061529397);(69.07042529,1.782113848);(70.06567426,0.7925902239);(71.04968984,3.77412992);(73.06533991,0.9138242223);(82.04052213,0.9386145538);(85.06533991,5.215425837);(94.04052213,0.9160549406);(96.05617219,1.154305157);(107.0609232,1.072532599);(109.0514212,2.15488253);(121.0514212,1.177142316);(121.0765733,0.9627273191);(134.0466701,3.231910495);(136.0623202,15.6095541);(148.0623202,2.711825254);(173.0827213,0.9117689823);(175.0983714,1.560792853);(186.0779703,1.390394102);(202.1092704,1.185932752);(203.093286,1.097503067)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.5660161263);(29.00273965,0.2194395661);(41.01397303,0.376712559);(57.03403978,0.243192851);(59.04968984,0.1610983581);(69.03403978,0.4916453547);(71.04968984,2.799989239);(80.02487206,0.2725591727);(107.0357711,0.5601024375);(132.0310201,0.3765188252);(134.0466701,9.253924201);(136.0623202,0.24712281);(137.0714879,0.1565777845);(148.0623202,0.2165252418);(149.0714879,0.4448925869);(158.0718223,0.1865155228);(159.0670712,0.2666210548);(160.0623202,0.2220449572);(161.0827213,0.3343312831);(173.0827213,1.270479105);(174.0667369,0.6384554999);(176.0823869,1.808996259);(186.0779703,0.3171604889);(187.0619858,0.9433556197);(188.0936203,5.118794942);(189.0776359,3.003977968);(191.093286,7.21704101);(200.0936203,9.83884063);(201.0776359,0.532307939);(202.0728849,0.3002811726);(218.104185,51.61447943)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.7795568764);(57.03403978,0.6180525848);(59.04968984,0.6125024657);(69.03403978,1.11752617);(71.04968984,6.640635161);(80.02487206,0.6482504863);(92.02487206,0.6638143672);(105.020121,1.49869904);(107.0357711,3.83494713);(112.0762389,0.5985823179);(121.0514212,0.5660918764);(123.0558378,0.72301513);(132.0310201,1.402397659);(134.0466701,23.99357773);(137.0714879,0.8074851374);(159.0670712,0.8624134901);(160.0623202,1.292830074);(161.0827213,1.164436612);(171.0670712,0.9738137085);(173.0827213,2.540626468);(174.0667369,0.611021697);(176.0823869,2.562192462);(186.0779703,0.6491031298);(187.0619858,0.5591018605);(188.0936203,5.404114373);(189.0776359,3.765100462);(191.093286,7.645411576);(200.0936203,6.467400047);(201.0776359,5.243645775);(202.0728849,0.9225448672);(218.104185,14.83110927)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(26.003074,0.7806801929);(39.0234751,0.7053691072);(41.01397303,2.632332611);(41.03912516,0.9940986785);(53.01397303,3.032188874);(55.01838972,1.449817919);(57.03403978,0.6827366911);(66.009222,0.764374877);(67.0296231,1.612337377);(69.03403978,0.8166177728);(71.04968984,1.83365437);(80.02487206,1.468118555);(105.020121,23.68978594);(107.0357711,16.54512641);(119.0357711,2.573529653);(121.0514212,2.651982389);(132.0310201,2.089904998);(133.0514212,0.7608671755);(134.0466701,22.04329026);(145.0514212,0.9480661842);(146.0466701,1.675905);(148.0623202,1.232816318);(158.0466701,0.9059351244);(159.0670712,1.19947518);(161.0827213,0.866251779);(162.0667369,1.391849563);(164.0823869,0.9205839297);(171.0670712,0.8976250144);(189.0776359,0.8677031697);(191.093286,0.7888465814);(201.0776359,1.178128305)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(220.11929,100.0);(220.11929,100.0);(220.11929,100.0);(220.11929,100.0);(220.11929,100.0);(220.11929,100.0);(220.11929,100.0);(220.11929,100.0);(220.11929,100.0);(220.11929,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(134.04612,8.92);(134.04612,8.92);(134.04612,8.92);(134.04612,8.92);(134.04612,8.92);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(162.07742,7.21);(162.07742,7.21);(162.07742,7.21);(162.07742,7.21);(164.09307,9.98);(164.09307,9.98);(202.10872,24.34);(202.10872,24.34);(202.10872,24.34);(202.10872,24.34);(218.10364,6.25);(220.11929,61.18);(220.11929,61.18);(220.11929,61.18);(220.11929,61.18);(220.11929,61.18);(220.11929,61.18);(220.11929,61.18);(220.11929,61.18);(220.11929,61.18);(220.11929,61.18)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(53.03858,14.38);(55.02907,13.42);(55.05423,32.11);(55.05423,32.11);(57.06988,10.13);(57.06988,10.13);(67.05423,12.75);(69.06988,30.19);(70.06513,12.04);(82.03997,12.45);(94.03997,98.04);(94.03997,98.04);(94.03997,98.04);(94.03997,98.04);(97.07602,15.11);(107.03522,52.94);(107.03522,52.94);(109.05087,69.18);(109.05087,69.18);(109.05087,69.18);(119.03522,63.48);(121.05087,20.36);(121.05087,20.36);(121.05087,20.36);(121.05087,20.36);(121.05087,20.36);(121.05087,20.36);(121.05087,20.36);(123.06652,31.69);(123.06652,31.69);(123.06652,31.69);(123.06652,31.69);(123.06652,31.69);(123.06652,31.69);(123.06652,31.69);(123.06652,31.69);(123.06652,31.69);(125.08217,23.51);(125.08217,23.51);(125.08217,23.51);(125.08217,23.51);(125.08217,23.51);(125.08217,23.51);(127.09782,12.13);(127.09782,12.13);(127.09782,12.13);(127.09782,12.13);(133.05087,10.28);(133.05087,10.28);(133.05087,10.28);(133.05087,10.28);(134.04612,33.14);(134.04612,33.14);(134.04612,33.14);(134.04612,33.14);(134.04612,33.14);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(136.06177,100.0);(140.09307,23.68);(140.09307,23.68);(140.09307,23.68);(140.09307,23.68);(140.09307,23.68);(140.09307,23.68);(142.10872,18.03);(142.10872,18.03);(142.10872,18.03);(142.10872,18.03);(142.10872,18.03);(146.04612,13.35);(148.06177,19.22);(148.06177,19.22);(148.06177,19.22);(148.06177,19.22);(150.07742,10.4);(150.07742,10.4);(150.07742,10.4);(150.07742,10.4);(150.07742,10.4);(150.07742,10.4);(150.07742,10.4);(150.07742,10.4);(150.07742,10.4);(186.07742,10.1);(188.09307,13.82);(188.09307,13.82);(188.09307,13.82);(188.09307,13.82);(188.09307,13.82);(188.09307,13.82);(188.09307,13.82);(188.09307,13.82);(190.10872,9.8);(190.10872,9.8);(190.10872,9.8);(190.10872,9.8);(190.10872,9.8);(190.10872,9.8);(190.10872,9.8);(193.10839,16.15);(193.10839,16.15);(193.10839,16.15);(193.10839,16.15);(193.10839,16.15);(193.10839,16.15)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(188.09417,22.7);(188.09417,22.7);(188.09417,22.7);(188.09417,22.7);(188.09417,22.7);(188.09417,22.7);(188.09417,22.7);(188.09417,22.7);(200.09417,31.03);(200.09417,31.03);(200.09417,31.03);(200.09417,31.03);(200.09417,31.03);(200.09417,31.03);(200.09417,31.03);(216.08908,34.8);(216.08908,34.8);(216.08908,34.8);(218.10473,100.0);(218.10473,100.0);(218.10473,100.0);(218.10473,100.0);(218.10473,100.0);(218.10473,100.0);(218.10473,100.0);(218.10473,100.0);(218.10473,100.0);(218.10473,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(69.03459,15.51);(92.02542,10.0);(92.02542,10.0);(107.03632,13.03);(107.03632,13.03);(107.03632,13.03);(107.03632,13.03);(107.03632,13.03);(119.03632,28.83);(119.03632,28.83);(119.03632,28.83);(119.03632,28.83);(119.03632,28.83);(134.04722,48.22);(134.04722,48.22);(134.04722,48.22);(134.04722,48.22);(134.04722,48.22);(134.04722,48.22);(134.04722,48.22);(176.08294,23.02);(176.08294,23.02);(186.07852,18.17);(186.07852,18.17);(186.07852,18.17);(186.07852,18.17);(188.09417,59.95);(188.09417,59.95);(188.09417,59.95);(188.09417,59.95);(188.09417,59.95);(188.09417,59.95);(188.09417,59.95);(188.09417,59.95);(198.07852,23.65);(200.09417,100.0);(200.09417,100.0);(200.09417,100.0);(200.09417,100.0);(200.09417,100.0);(200.09417,100.0);(200.09417,100.0);(218.10473,69.84);(218.10473,69.84);(218.10473,69.84);(218.10473,69.84);(218.10473,69.84);(218.10473,69.84);(218.10473,69.84);(218.10473,69.84);(218.10473,69.84);(218.10473,69.84)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.01452,20.69);(65.01452,8.24);(66.00977,6.56);(67.03017,4.74);(80.02542,15.24);(80.02542,15.24);(80.02542,15.24);(94.04107,5.89);(94.04107,5.89);(95.06147,5.37);(105.02067,69.18);(105.02067,69.18);(105.02067,69.18);(107.03632,59.31);(107.03632,59.31);(107.03632,59.31);(107.03632,59.31);(107.03632,59.31);(117.02067,5.17);(119.03632,26.97);(119.03632,26.97);(119.03632,26.97);(119.03632,26.97);(119.03632,26.97);(125.07204,6.05);(132.03157,100.0);(132.03157,100.0);(132.03157,100.0);(133.05197,14.95);(133.05197,14.95);(134.04722,32.59);(134.04722,32.59);(134.04722,32.59);(134.04722,32.59);(134.04722,32.59);(134.04722,32.59);(134.04722,32.59);(135.06762,7.39);(135.06762,7.39);(146.04722,9.79);(146.04722,9.79);(146.04722,9.79);(146.04722,9.79);(160.06287,5.98);(160.06287,5.98);(160.06287,5.98);(160.06287,5.98);(160.06287,5.98);(160.06287,5.98);(160.06287,5.98);(216.08908,7.81);(216.08908,7.81);(216.08908,7.81)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Zeatin (trans-)

Identification

Structure for Zeatin (trans-)

Calculated Properties

External Links

Taxonomy as Food Phytochemical

Classyfire Taxonomy

Spectra from Phytohub

Food Sources

Role as Biomarker of intake

Metabolism

Inter-Individual Variations in Metabolism