PhytoHub: Showing entry for Resveratrol (cis-)

Resveratrol (cis-)

Identification

PhytoHub ID

PHUB000335

Name

Resveratrol (cis-)

Systematic Name

Not Available

Synonyms

(Z)-resveratrol
cis-3,4',5-trihydroxystilbene

CAS Number

Not Available

Average Mass

228.247

Monoisotopic Mass

228.078644246

Chemical Formula

C₁₄H₁₂O₃

IUPAC Name

5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol

InChI Key

LUKBXSAWLPMMSZ-UPHRSURJSA-N

InChI Identifier

InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1-

SMILES

[H]\C(=C(/[H])C1=CC(O)=CC(O)=C1)C1=CC=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.88e-02 g/l
LogS (ALOGPS): -3.52
LogP (ALOGPS): 2.57
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 2
Polar Surface Area: 60.69
Refractivity: 67.45550000000001
Polarizability: 23.64697428169282
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -5.678025720766968
pKa (strongest acidic): 8.993489164415603
Number of Rings: 2
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 45713
ChEBI: 36002
PubChem: 1548910
MetaboLights: MTBLC36002
Phenol-Explorer: 583
FooDB (Compounds): FDB012386
PeakForestCompound: 000289

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Stilbenes
Sub-class: Not Available

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Stilbene metabolites
Metabolite Sub-class: Not Available

Taxonomy of its Food Phytochemical Precursor(s)

Food Phytochemical	Family	Class	Sub-class
Resveratrol (trans-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical
Piceid (cis-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical
Pinosylvin	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical
Resveratrol (cis-)	Polyphenols	Stilbenes	Not Available	Show Food Phytochemical

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Stilbenes
Super-class: Phenylpropanoids and polyketides
Sub-class: Not Available
Direct Parent Name: Stilbenes
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Hydrocarbon derivatives", "Organooxygen compounds", "Resorcinols", "Styrenes"]
External Descriptor Annotations: ["resveratrol"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenoid", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol", "Resorcinol", "Stilbene", "Styrene"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(76.0,0.007);(77.0,0.005);(83.0,0.007);(85.0,0.005);(91.0,0.007);(99.0,0.007);(103.0,0.007);(105.0,0.007);(115.0,0.017);(117.0,0.009);(119.0,0.012);(129.0,0.005);(131.0,0.017);(133.0,0.062);(134.0,0.009);(135.0,0.012);(139.0,0.005);(141.0,0.007);(145.0,0.005);(151.0,0.01);(152.0,0.009);(153.0,0.005);(155.0,0.005);(161.0,0.005);(163.0,0.012);(164.0,0.009);(165.0,0.045);(166.0,0.007);(171.0,0.005);(175.0,0.007);(176.0,0.007);(177.0,0.009);(178.0,0.015);(179.0,0.026);(180.0,0.005);(181.0,0.007);(183.0,0.005);(185.0,0.007);(189.0,0.017);(190.0,0.007);(191.0,0.015);(192.0,0.007);(193.0,0.01);(195.0,0.007);(199.0,0.009);(200.0,0.005);(202.0,0.005);(203.0,0.005);(205.0,0.009);(207.0,0.079);(208.0,0.021);(209.0,0.009);(219.0,0.01);(221.0,0.009);(223.0,0.014);(233.0,0.005);(235.0,0.01);(236.0,0.005);(237.0,0.012);(239.0,0.007);(249.0,0.009);(251.0,0.012);(253.0,0.01);(263.0,0.007);(265.0,0.009);(266.0,0.005);(267.0,0.014);(279.0,0.009);(281.0,0.005);(283.0,0.005);(293.0,0.005);(295.0,0.005);(307.0,0.009);(309.0,0.005);(311.0,0.007);(323.0,0.021);(324.0,0.007);(325.0,0.007);(327.0,0.005);(339.0,0.019);(340.0,0.007);(341.0,0.029);(342.0,0.009);(343.0,0.009);(353.0,0.005);(354.0,0.014);(355.0,0.031);(356.0,0.019);(357.0,0.007);(371.0,0.019);(372.0,0.007);(427.0,0.005);(429.0,0.06);(430.0,0.022);(431.0,0.01);(443.0,0.154);(444.0,1.0);(445.0,0.396);(446.0,0.172);(447.0,0.046);(448.0,0.01)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(76.0,0.007);(77.0,0.005);(83.0,0.007);(85.0,0.005);(91.0,0.007);(99.0,0.007);(103.0,0.007);(105.0,0.007);(115.0,0.017);(117.0,0.009);(119.0,0.012);(129.0,0.005);(131.0,0.017);(133.0,0.062);(134.0,0.009);(135.0,0.012);(139.0,0.005);(141.0,0.007);(145.0,0.005);(151.0,0.01);(152.0,0.009);(153.0,0.005);(155.0,0.005);(161.0,0.005);(163.0,0.012);(164.0,0.009);(165.0,0.045);(166.0,0.007);(171.0,0.005);(175.0,0.007);(176.0,0.007);(177.0,0.009);(178.0,0.015);(179.0,0.026);(180.0,0.005);(181.0,0.007);(183.0,0.005);(185.0,0.007);(189.0,0.017);(190.0,0.007);(191.0,0.015);(192.0,0.007);(193.0,0.01);(195.0,0.007);(199.0,0.009);(200.0,0.005);(202.0,0.005);(203.0,0.005);(205.0,0.009);(207.0,0.079);(208.0,0.021);(209.0,0.009);(219.0,0.01);(221.0,0.009);(223.0,0.014);(233.0,0.005);(235.0,0.01);(236.0,0.005);(237.0,0.012);(239.0,0.007);(249.0,0.009);(251.0,0.012);(253.0,0.01);(263.0,0.007);(265.0,0.009);(266.0,0.005);(267.0,0.014);(279.0,0.009);(281.0,0.005);(283.0,0.005);(293.0,0.005);(295.0,0.005);(307.0,0.009);(309.0,0.005);(311.0,0.007);(323.0,0.021);(324.0,0.007);(325.0,0.007);(327.0,0.005);(339.0,0.019);(340.0,0.007);(341.0,0.029);(342.0,0.009);(343.0,0.009);(353.0,0.005);(354.0,0.014);(355.0,0.031);(356.0,0.019);(357.0,0.007);(371.0,0.019);(372.0,0.007);(427.0,0.005);(429.0,0.06);(430.0,0.022);(431.0,0.01);(443.0,0.154);(444.0,1.0);(445.0,0.396);(446.0,0.172);(447.0,0.046);(448.0,0.01)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(94.04131312,2.930346432);(95.04913772,1.421728819);(104.0256639,1.385488348);(105.0334885,3.346911108);(110.0362272,2.929318566);(111.0440518,1.421230194);(122.0362272,3.199288462);(123.0440518,5.141822229);(157.0284026,1.563859426);(157.0647869,2.54700989);(158.0362272,1.57663718);(160.0518764,1.162713094);(170.0362272,1.470919981);(171.0440518,2.103501136);(182.0362272,1.457027205);(183.0440518,1.569808288);(184.0518764,1.966975819);(186.0675256,1.562244799);(197.059701,1.901392008);(198.0675256,2.300570132);(199.0753502,5.712909536);(200.0831748,2.521808362);(210.0675256,2.589115074);(211.0753502,1.629953144);(212.0467905,1.404040451);(213.0546151,2.268135387);(226.0624397,2.057520798);(227.0702643,14.01434321);(228.073656,2.235144673);(228.0780889,19.49591242);(229.0814834,3.112323829)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(71.03115062,0.8900586637);(73.04679982,16.72309641);(74.04796012,1.43093242);(74.05462442,0.6218728315);(75.02606472,4.86901962);(75.06244902,0.7665377619);(229.1043107,0.7148334685);(315.1230994,0.6358369433);(326.1152748,0.6872519856);(328.130924,0.784134386);(330.1465732,0.6352826188);(342.1465732,1.015130843);(343.1543978,3.691003043);(344.1565891,1.176519765);(354.1465732,0.7592898347);(355.1543978,0.7830203727);(357.1336627,2.140182742);(358.1358526,0.6823507339);(370.1414873,0.9740913993);(371.1493119,3.774401486);(372.151545,1.246768674);(372.1571365,4.54232154);(373.1593714,1.501111181);(373.1649611,1.874165608);(428.1653619,0.9724748725);(429.1731865,13.22785288);(430.1751569,5.347286394);(431.1733159,2.426514049);(432.1741148,0.6239172376);(443.1888357,0.6459913332);(444.1966603,1.244900623)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(94.04131312,1.916236596);(95.04913772,0.929708775);(104.0256639,0.9060101039);(105.0334885,2.186487839);(110.0362272,1.915564445);(111.0440518,0.9293827104);(122.0362272,2.092105412);(123.0440518,3.09797728);(157.0284026,1.022652008);(157.0647869,1.750915263);(158.0362272,1.031007743);(160.0518764,0.7603310503);(170.0362272,0.9618762705);(171.0440518,1.375539019);(182.0362272,0.8754665776);(183.0440518,0.9580636276);(184.0518764,1.20217165);(186.0675256,0.8793076281);(197.059701,1.243374131);(198.0675256,1.625044656);(199.0753502,3.828693326);(200.0831748,1.754715914);(210.0675256,1.693095738);(211.0753502,1.065872564);(212.0467905,0.8457805796);(213.0546151,1.458956288);(226.0624397,1.345471173);(227.0702643,9.789709853);(228.073656,1.561358781);(228.0780889,12.6523458);(229.0814834,2.019818128)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.0372,1.5);(78.04447,1.1);(79.05209,3.3);(90.04498,1.7);(91.0552,18.02);(93.05712,1.6);(94.04346,2.0);(95.05282,1.8);(102.04757,1.9);(103.05379,1.5);(104.06652,1.0);(105.06873,1.2);(107.04824,100.0);(108.05293,3.2);(109.02769,1.4);(110.03726,1.4);(115.05341,5.61);(116.06359,1.1);(117.49534,1.6);(118.06727,1.1);(119.05185,3.2);(120.05427,8.61);(121.06261,3.6);(127.052,3.1);(128.06274,7.01);(129.06363,4.4);(131.04449,1.3);(132.06534,1.0);(135.04117,6.41);(136.04861,1.3);(139.05135,1.0);(140.05434,1.3);(141.06815,6.11);(142.08321,1.1);(144.0553,2.5);(145.06235,1.0);(145.98141,1.2);(151.05635,3.3);(152.06294,1.1);(153.07077,16.12);(154.07872,7.31);(155.09018,6.11);(156.36263,1.1);(157.06296,8.51);(158.06813,2.0);(159.07117,1.1);(164.06737,4.8);(165.07115,40.44);(166.07339,2.8);(167.08969,1.6);(168.05447,4.1);(169.54063,1.0);(173.06538,1.8);(181.06468,7.31);(182.06293,1.2);(183.07878,1.5);(194.07484,2.0);(197.077,1.1);(210.07076,1.0);(211.07951,2.8);(212.08032,1.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(73.61375,1.3);(77.04117,1.5);(85.03087,1.5);(91.0542,9.01);(107.04955,24.32);(109.02918,1.9);(111.04118,2.7);(119.05055,5.01);(120.05112,3.2);(121.02671,2.2);(127.05559,1.1);(135.0442,19.32);(136.04974,3.4);(141.07254,1.5);(145.06773,2.0);(152.05798,1.0);(153.0715,3.5);(154.07269,1.5);(155.08429,3.0);(157.06822,2.5);(163.06314,1.6);(165.07469,6.21);(166.08116,1.2);(171.03893,1.1);(173.05327,1.3);(181.06244,2.3);(183.08717,2.5);(193.06808,2.2);(210.0661,1.2);(211.07251,5.11);(228.08144,11.11);(229.08536,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03621,1.6);(77.03352,2.0);(89.04183,1.2);(91.05425,6.5);(95.05126,1.5);(103.05504,1.9);(107.04939,17.4);(108.05267,1.3);(109.0265,1.2);(119.04726,11.3);(120.05665,6.1);(121.02745,1.1);(134.03461,1.3);(135.04349,27.6);(136.04778,2.4);(141.07271,2.2);(145.02704,1.3);(152.06471,2.7);(153.07066,2.4);(154.07736,1.4);(155.08392,1.6);(157.06691,2.4);(158.07796,1.4);(165.0661,6.3);(166.07315,2.5);(173.05545,1.5);(181.04222,1.4);(183.08658,3.1);(193.06583,1.9);(210.06113,1.7);(211.08102,4.9);(213.05026,1.6);(227.06812,2.0);(228.07774,16.3);(229.08516,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.04958,1.2);(119.05001,2.0);(135.04362,7.2);(211.07784,2.6);(228.07777,14.0);(229.08566,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.99257,13.2);(78.05229,13.9);(91.05617,30.6);(92.0546,16.0);(94.04262,21.5);(107.04813,49.3);(108.05231,13.9);(115.05983,19.4);(116.06113,13.9);(120.05865,13.9);(128.0578,15.3);(129.06775,14.6);(132.0507,24.3);(139.0545,29.9);(140.06491,11.8);(151.06413,23.6);(152.05408,13.2);(153.07106,100.0);(156.06224,13.2);(164.06201,42.4);(165.0717,91.7);(168.05936,14.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(55.02036,1.5);(65.04086,4.5);(67.05453,1.5);(71.15675,1.3);(77.03675,10.2);(79.05282,8.4);(91.0541,34.1);(92.06151,5.7);(93.03797,1.7);(98.83,1.3);(103.03806,1.3);(105.07105,1.3);(107.04862,100.0);(108.05085,4.2);(109.03042,1.8);(110.03973,3.1);(115.05415,2.7);(117.07362,1.8);(118.0463,1.9);(119.04639,3.5);(120.05395,9.9);(121.02615,9.0);(127.05566,7.2);(128.06161,1.6);(129.07167,5.7);(131.0504,5.9);(132.08038,2.8);(134.06546,1.6);(135.04358,11.0);(136.05829,1.9);(137.05615,1.3);(139.05455,4.2);(140.06158,3.6);(141.067,7.6);(143.0853,1.5);(144.05746,5.4);(145.06311,5.3);(152.05833,2.6);(153.06961,16.8);(154.08231,3.1);(155.08118,3.6);(157.06178,4.8);(164.0654,5.0);(165.0708,59.6);(166.07741,9.9);(168.06287,2.2);(171.03874,1.7);(173.0578,3.1);(181.06583,20.1);(182.07298,5.4);(183.05856,1.4);(184.08298,4.1);(185.05212,1.5);(187.03987,1.3);(192.06018,1.3);(193.06834,6.3);(194.06413,2.2);(199.08725,2.6);(200.07181,4.0);(201.08624,1.5);(209.07504,1.7);(210.06728,2.7);(211.06766,1.9);(213.0451,6.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.0372,1.5);(78.04447,1.1);(79.05209,3.3);(90.04498,1.7);(91.0552,18.0);(93.05712,1.6);(94.04346,2.0);(95.05282,1.8);(102.04757,1.9);(103.05379,1.5);(105.06873,1.2);(107.04824,100.0);(108.05293,3.2);(109.02769,1.4);(110.03726,1.4);(115.05341,5.6);(116.06359,1.1);(117.49534,1.6);(118.06727,1.1);(119.05185,3.2);(120.05427,8.6);(121.06261,3.6);(127.052,3.1);(128.06274,7.0);(129.06363,4.4);(131.04449,1.3);(135.04117,6.4);(136.04861,1.3);(140.05434,1.3);(141.06815,6.1);(142.08321,1.1);(144.0553,2.5);(145.98141,1.2);(151.05635,3.3);(152.06294,1.1);(153.07077,16.1);(154.07872,7.3);(155.09018,6.1);(156.36263,1.1);(157.06296,8.5);(158.06813,2.0);(159.07117,1.1);(164.06737,4.8);(165.07115,40.4);(166.07339,2.8);(167.08969,1.6);(168.05447,4.1);(173.06538,1.8);(181.06468,7.3);(182.06293,1.2);(183.07878,1.5);(194.07484,2.0);(197.077,1.1);(211.07951,2.8);(212.08032,1.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03978,13.2);(67.05481,8.3);(79.05598,13.7);(80.0571,17.2);(91.05957,9.3);(95.05264,9.8);(103.0506,8.8);(107.04738,17.6);(119.05123,19.6);(126.0401,14.7);(128.05777,32.4);(129.06448,13.7);(131.05193,21.6);(139.04575,16.7);(144.05957,16.2);(151.05336,12.7);(152.06091,100.0);(153.0715,62.3);(163.03999,17.6);(164.06111,24.5);(165.06671,28.9);(181.06165,26.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.04897,1.7);(135.04482,8.6);(211.07466,1.8);(228.07829,14.4);(229.08621,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(73.61375,1.3);(77.04117,1.5);(85.03087,1.5);(91.0542,9.0);(107.04955,24.3);(109.02918,1.9);(111.04118,2.7);(119.05055,5.0);(120.05112,3.2);(121.02671,2.2);(127.05559,1.1);(135.0442,19.3);(136.04974,3.4);(141.07254,1.5);(145.06773,2.0);(153.0715,3.5);(154.07269,1.5);(155.08429,3.0);(157.06822,2.5);(163.06314,1.6);(165.07469,6.2);(166.08116,1.2);(171.03893,1.1);(173.05327,1.3);(181.06244,2.3);(183.08717,2.5);(193.06808,2.2);(210.0661,1.2);(211.07251,5.1);(228.08144,11.1);(229.08536,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(119.05121,2.6);(135.04384,8.3);(183.08105,1.1);(211.07237,1.3);(228.07861,13.7);(229.08543,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(79.05357,1.6);(91.05466,6.0);(105.04139,1.5);(107.04993,27.7);(108.05344,1.8);(109.03052,1.1);(111.04266,2.5);(115.05435,1.5);(119.04769,17.1);(120.05402,3.1);(121.02631,1.2);(123.04411,2.2);(128.06325,1.4);(131.04948,1.2);(135.04353,27.8);(136.04938,1.1);(141.06042,2.3);(145.0639,3.2);(153.07008,2.6);(153.96585,1.1);(157.07184,1.8);(164.0576,1.9);(165.07071,8.7);(166.07777,1.4);(181.07039,2.9);(182.06078,1.2);(183.07889,3.7);(186.96674,1.3);(193.06642,3.1);(201.09569,2.1);(211.07867,1.9);(227.07169,3.4);(228.07594,12.1);(229.08681,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(79.05357,1.6);(91.05466,6.01);(105.04139,1.5);(107.04993,27.73);(108.05344,1.8);(109.03052,1.1);(111.04266,2.5);(115.05435,1.5);(119.04769,17.12);(120.05402,3.1);(121.02631,1.2);(123.04411,2.2);(128.06325,1.4);(131.04948,1.2);(135.04353,27.83);(136.04938,1.1);(141.06042,2.3);(143.05528,1.0);(145.0639,3.2);(153.07008,2.6);(153.96585,1.1);(157.07184,1.8);(157.77345,1.0);(163.05132,1.0);(164.0576,1.9);(165.07071,8.71);(166.07777,1.4);(181.07039,2.9);(182.06078,1.2);(183.07889,3.7);(186.96674,1.3);(193.06642,3.1);(201.09569,2.1);(210.0703,1.0);(211.07867,1.9);(227.07169,3.4);(228.07594,12.11);(229.08681,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(68.99816,1.4);(71.01254,2.4);(77.0369,5.2);(79.05387,7.9);(89.03531,1.7);(91.05334,40.7);(93.03585,6.6);(94.04036,1.9);(95.05544,1.7);(105.05928,1.7);(106.03503,1.4);(107.04867,100.0);(108.04829,3.6);(109.03059,1.5);(110.03911,3.5);(111.04432,1.7);(115.05666,2.2);(116.05592,6.9);(117.12222,2.3);(119.04575,10.0);(120.06155,4.2);(121.05682,1.8);(123.04039,3.5);(127.05516,2.1);(128.05579,1.8);(129.07216,1.7);(130.08054,2.3);(131.08107,2.6);(132.03339,2.2);(134.0377,3.1);(135.04442,9.2);(136.05128,8.0);(137.05418,1.8);(141.07187,5.3);(142.07477,2.2);(143.08304,3.2);(144.05617,2.7);(145.05551,4.8);(146.06361,3.4);(147.0446,2.3);(152.06177,3.1);(153.0723,12.9);(154.07809,6.7);(155.07584,3.4);(156.08766,3.2);(157.06197,3.7);(158.0696,3.2);(161.05824,1.8);(164.05995,3.4);(165.07124,39.6);(166.07812,7.0);(167.08563,2.3);(171.03671,1.8);(173.06271,2.0);(181.06306,24.8);(182.08102,6.9);(183.07735,2.8);(184.03529,2.1);(185.05479,1.5);(186.07034,1.8);(192.13121,1.4);(194.06213,1.7);(198.06816,1.9);(199.08545,1.8);(209.0603,1.7);(211.06944,1.4);(213.0535,9.6);(214.06497,1.8);(227.08009,1.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(75.02287,22.0);(77.03693,34.9);(81.03177,15.6);(91.05703,40.4);(92.05385,17.4);(94.04007,16.5);(107.04699,34.9);(112.0201,33.0);(119.05032,63.3);(120.06004,15.6);(126.0528,20.2);(127.05074,22.9);(128.07143,16.5);(129.07253,16.5);(130.034,18.3);(133.02899,39.4);(145.05992,15.6);(151.05098,16.5);(152.06075,45.0);(153.06638,33.9);(154.07565,15.6);(157.06702,46.8);(163.05174,34.9);(164.06619,42.2);(165.07063,100.0);(171.07658,22.9);(181.05893,37.6);(182.07391,25.7);(228.08263,20.2);(229.09222,18.3)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(75.02287,0.22022022);(77.03693,0.34934935);(81.03177,0.15615616);(91.05703,0.4044044);(92.05385,0.17417417);(92.06771,0.15615616);(94.04007,0.16516517);(107.04699,0.34934935);(112.01358,0.25725726);(112.0201,0.33033033);(119.05032,0.63263263);(120.06004,0.15615616);(126.0528,0.2022022);(127.05074,0.22922923);(128.07143,0.16516517);(129.07253,0.16516517);(130.034,0.18318318);(133.02899,0.39439439);(145.05992,0.15615616);(151.05098,0.16516517);(152.06075,0.45045045);(153.06638,0.33933934);(154.07565,0.15615616);(157.06702,0.46846847);(163.05174,0.34934935);(164.04297,0.23923924);(164.06619,0.42242242);(165.07063,1.0);(165.08365,0.2022022);(171.07658,0.22922923);(181.05893,0.37637638);(182.07391,0.25725726);(228.08263,0.2022022);(229.09222,0.18318318)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(55.02036,0.01501502);(65.02611,0.01901902);(65.04086,0.04504505);(67.05453,0.01501502);(71.15675,0.01301301);(77.02853,0.01501502);(77.03675,0.1021021);(79.05282,0.08408408);(91.0541,0.34134134);(92.05493,0.01401401);(92.06151,0.05705706);(93.03797,0.01701702);(98.83,0.01301301);(103.03806,0.01301301);(105.07105,0.01301301);(107.03088,0.02102102);(107.03787,0.04404404);(107.04862,1.0);(108.05085,0.04204204);(108.05614,0.03903904);(108.56039,0.01301301);(109.02413,0.01301301);(109.03042,0.01801802);(110.03223,0.01901902);(110.03973,0.03103103);(115.05415,0.02702703);(115.06346,0.02702703);(117.07362,0.01801802);(118.0463,0.01901902);(119.04639,0.03503504);(119.05411,0.03403403);(120.05395,0.0990991);(120.06476,0.01301301);(121.02615,0.09009009);(121.059,0.03803804);(121.23347,0.01301301);(127.05566,0.07207207);(128.06161,0.01601602);(129.07167,0.05705706);(131.0504,0.05905906);(131.08745,0.01301301);(132.08038,0.02802803);(134.06546,0.01601602);(135.04358,0.11011011);(136.05157,0.01101101);(136.05829,0.01901902);(137.05615,0.01301301);(139.05455,0.04204204);(139.05998,0.02202202);(140.06158,0.03603604);(141.067,0.07607608);(141.0726,0.05105105);(143.0853,0.01501502);(144.05746,0.05405405);(145.06311,0.05305305);(145.07056,0.03803804);(152.05833,0.02602603);(152.06601,0.01901902);(153.0352,0.01801802);(153.06036,0.02802803);(153.06961,0.16816817);(154.07425,0.02202202);(154.08231,0.03103103);(155.04521,0.01401401);(155.05904,0.02202202);(155.08118,0.03603604);(155.08875,0.01501502);(157.04805,0.01801802);(157.06178,0.04804805);(157.06992,0.01501502);(164.05544,0.01201201);(164.0654,0.05005005);(165.0708,0.5955956);(166.04942,0.03703704);(166.06786,0.01501502);(166.07741,0.0990991);(168.0517,0.01301301);(168.06287,0.02202202);(171.03874,0.01701702);(173.0578,0.03103103);(181.06583,0.2012012);(182.06329,0.01401401);(182.07298,0.05405405);(183.05856,0.01401401);(183.07814,0.01301301);(184.08298,0.04104104);(185.05212,0.01501502);(187.03987,0.01301301);(192.06018,0.01301301);(193.06834,0.06306306);(194.06413,0.02202202);(194.07816,0.01301301);(199.08725,0.02602603);(200.07181,0.04004004);(201.08624,0.01501502);(209.07504,0.01701702);(210.06728,0.02702703);(211.06766,0.01901902);(213.0451,0.06306306);(213.05997,0.03103103)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(68.99257,0.13213213);(78.05229,0.13913914);(91.05617,0.30630631);(92.0546,0.16016016);(94.04262,0.21521522);(107.04813,0.49349349);(108.05231,0.13913914);(115.05154,0.18818819);(115.05983,0.19419419);(116.06113,0.13913914);(120.05865,0.13913914);(128.0578,0.15315315);(129.06775,0.14614615);(132.0507,0.24324324);(139.0545,0.2992993);(140.06491,0.11811812);(151.06413,0.23623624);(152.04402,0.11811812);(152.05408,0.13213213);(153.07106,1.0);(156.06224,0.13213213);(164.06201,0.42442442);(165.0717,0.91691692);(168.05936,0.14614615)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(55.01451,0.00700701);(69.00049,0.00500501);(78.04041,0.00600601);(79.05357,0.01601602);(81.03017,0.00600601);(88.49612,0.00500501);(91.05466,0.06006006);(92.05008,0.00600601);(93.02628,0.00800801);(93.0358,0.00700701);(94.02778,0.00900901);(103.05652,0.00600601);(105.04139,0.01501502);(107.02442,0.00600601);(107.04993,0.27727728);(108.05344,0.01801802);(108.54977,0.00600601);(109.03052,0.01101101);(110.03425,0.00600601);(111.04266,0.02502503);(115.05435,0.01501502);(117.03096,0.00800801);(117.07217,0.00800801);(119.04769,0.17117117);(120.05402,0.03103103);(120.06219,0.01801802);(121.02631,0.01201201);(121.06008,0.00600601);(123.04411,0.02202202);(124.0455,0.00600601);(128.06325,0.01401401);(130.07588,0.00900901);(131.03854,0.00600601);(131.04948,0.01201201);(133.02969,0.00800801);(135.04353,0.27827828);(136.04395,0.00700701);(136.04938,0.01101101);(139.05205,0.00600601);(141.06042,0.02302302);(143.04401,0.00900901);(143.05528,0.01001001);(144.05624,0.00600601);(145.0639,0.03203203);(145.07477,0.00800801);(150.47623,0.00600601);(153.0607,0.01301301);(153.07008,0.02602603);(153.96585,0.01101101);(154.06813,0.00500501);(154.07571,0.00900901);(154.08409,0.00600601);(155.07205,0.00800801);(155.08725,0.00800801);(157.06274,0.00900901);(157.07184,0.01801802);(157.77345,0.01001001);(159.06866,0.00500501);(159.07573,0.00600601);(160.05414,0.00600601);(160.08731,0.00800801);(163.05132,0.01001001);(164.0576,0.01901902);(165.06258,0.06506507);(165.07071,0.08708709);(166.05519,0.00500501);(166.07036,0.00900901);(166.07777,0.01401401);(171.23689,0.00600601);(173.0609,0.00600601);(181.07039,0.02902903);(181.08073,0.00500501);(181.49954,0.00600601);(182.06078,0.01201201);(182.07957,0.00600601);(183.07889,0.03703704);(184.04538,0.00700701);(185.05986,0.00500501);(186.96674,0.01301301);(187.39507,0.00700701);(191.04515,0.00600601);(193.06642,0.03103103);(194.06102,0.00500501);(199.06499,0.00600601);(200.07964,0.00800801);(200.09042,0.00500501);(201.06265,0.00600601);(201.09569,0.02102102);(210.0703,0.01001001);(211.06551,0.01401401);(211.07867,0.01901902);(212.0892,0.00600601);(214.05168,0.00600601);(218.55786,0.00900901);(227.04791,0.00800801);(227.07169,0.03403403);(227.09727,0.00500501);(228.07594,0.12112112);(229.00243,0.00800801);(229.05391,0.00800801);(229.08681,1.0);(229.11153,0.00600601);(229.15036,0.00600601)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(68.99816,0.01401401);(71.01254,0.02402402);(77.0369,0.05205205);(79.04789,0.02302302);(79.05387,0.07907908);(89.03531,0.01701702);(91.05334,0.40740741);(93.02985,0.01301301);(93.03585,0.06606607);(94.04036,0.01901902);(95.05544,0.01701702);(105.05928,0.01701702);(106.03503,0.01401401);(107.04867,1.0);(108.04829,0.03603604);(109.03059,0.01501502);(109.05183,0.01501502);(110.03911,0.03503504);(111.04432,0.01701702);(115.05666,0.02202202);(116.05592,0.06906907);(117.06008,0.01901902);(117.06897,0.01901902);(117.12222,0.02302302);(119.04575,0.1001001);(120.05645,0.02802803);(120.06155,0.04204204);(121.03191,0.01601602);(121.05682,0.01801802);(121.06569,0.01701702);(123.04039,0.03503504);(123.05099,0.01901902);(127.05516,0.02102102);(127.0601,0.01901902);(128.05579,0.01801802);(128.06511,0.01601602);(129.07216,0.01701702);(130.08054,0.02302302);(131.0421,0.01501502);(131.08107,0.02602603);(132.03339,0.02202202);(134.0377,0.03103103);(135.00412,0.02302302);(135.04442,0.09209209);(136.05128,0.08008008);(137.05418,0.01801802);(141.07187,0.05305305);(142.06514,0.01701702);(142.07477,0.02202202);(143.08304,0.03203203);(144.04517,0.01801802);(144.05617,0.02702703);(145.05551,0.04804805);(145.06505,0.02002002);(146.06361,0.03403403);(147.0446,0.02302302);(152.06177,0.03103103);(153.06438,0.07507508);(153.0723,0.12912913);(154.07809,0.06706707);(155.07584,0.03403403);(155.09167,0.01901902);(156.08766,0.03203203);(157.06197,0.03703704);(158.0696,0.03203203);(161.05824,0.01801802);(164.04799,0.01801802);(164.05995,0.03403403);(165.05063,0.01401401);(165.07124,0.3963964);(166.05898,0.01401401);(166.06689,0.03503504);(166.07812,0.07007007);(166.21478,0.01401401);(167.08563,0.02302302);(171.03671,0.01801802);(173.06271,0.02002002);(181.06306,0.24824825);(182.06686,0.03303303);(182.08102,0.06906907);(183.04655,0.01501502);(183.07735,0.02802803);(184.03529,0.02102102);(184.32224,0.01501502);(185.05479,0.01501502);(186.05827,0.01501502);(186.07034,0.01801802);(192.13121,0.01401401);(194.06213,0.01701702);(198.06816,0.01901902);(199.07327,0.01501502);(199.08545,0.01801802);(209.0603,0.01701702);(211.06944,0.01401401);(213.0535,0.0960961);(214.06497,0.01801802);(227.08009,0.01401401)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(65.03621,0.01601602);(77.03352,0.02002002);(78.03423,0.00700701);(85.07626,0.00600601);(89.04183,0.01201201);(91.04562,0.01401401);(91.05425,0.06506507);(93.03033,0.00700701);(95.05126,0.01501502);(96.04946,0.00800801);(103.05504,0.01901902);(107.01791,0.00600601);(107.03445,0.00700701);(107.04535,0.07807808);(107.04939,0.17417417);(108.04875,0.00700701);(108.05267,0.01301301);(109.0265,0.01201201);(111.05222,0.00700701);(115.04986,0.00600601);(118.02339,0.00700701);(119.04726,0.11311311);(120.05665,0.06106106);(121.01941,0.00700701);(121.02745,0.01101101);(123.03982,0.00600601);(129.06384,0.00600601);(133.06046,0.00600601);(134.03461,0.01301301);(135.00517,0.00600601);(135.03087,0.01201201);(135.04349,0.27627628);(135.05571,0.00600601);(136.04778,0.02402402);(137.02419,0.00500501);(140.05891,0.00900901);(141.06357,0.01301301);(141.07271,0.02202202);(142.07137,0.00900901);(143.03127,0.00600601);(143.05032,0.00600601);(145.02704,0.01301301);(145.05754,0.00600601);(145.09952,0.00800801);(146.056,0.00800801);(152.06471,0.02702703);(153.07066,0.02402402);(154.06885,0.00500501);(154.07736,0.01401401);(155.07762,0.00700701);(155.08392,0.01601602);(157.06691,0.02402402);(158.07135,0.00600601);(158.07796,0.01401401);(161.05188,0.00600601);(162.10333,0.00700701);(164.05997,0.00500501);(165.0661,0.06306306);(165.07376,0.04004004);(166.07315,0.02502503);(168.06235,0.00700701);(171.08179,0.00700701);(173.03996,0.00800801);(173.05545,0.01501502);(173.98413,0.00700701);(174.10088,0.00700701);(181.04222,0.01401401);(181.05716,0.01101101);(181.07611,0.01401401);(182.07031,0.00800801);(183.06876,0.01801802);(183.07629,0.02802803);(183.08658,0.03103103);(184.04614,0.00600601);(193.06583,0.01901902);(197.0562,0.00900901);(200.76466,0.00600601);(201.09306,0.00700701);(210.06113,0.01701702);(210.07063,0.01201201);(210.07787,0.00700701);(211.07129,0.03303303);(211.08102,0.04904905);(212.07669,0.00700701);(213.05026,0.01601602);(213.05728,0.00800801);(214.05405,0.00600601);(227.0573,0.00500501);(227.06812,0.02002002);(228.05887,0.00700701);(228.07774,0.16316316);(228.44719,0.00900901);(229.03195,0.00700701);(229.041,0.00500501);(229.06531,0.01101101);(229.08516,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(77.0372,0.01501502);(77.04264,0.01401401);(78.04447,0.01101101);(79.04554,0.03103103);(79.05209,0.03303303);(79.0577,0.02902903);(90.04498,0.01701702);(91.02994,0.01601602);(91.0552,0.18018018);(93.05712,0.01601602);(94.04346,0.02002002);(95.05282,0.01801802);(95.05619,0.01001001);(102.04757,0.01901902);(103.05379,0.01501502);(104.06652,0.01001001);(105.06873,0.01201201);(107.04824,1.0);(107.95765,0.01101101);(108.05293,0.03203203);(108.45734,0.01201201);(109.02013,0.01101101);(109.02769,0.01401401);(110.03726,0.01401401);(115.05341,0.05605606);(116.06359,0.01101101);(117.49534,0.01601602);(117.88834,0.01001001);(118.06727,0.01101101);(119.04593,0.02702703);(119.05185,0.03203203);(120.05427,0.08608609);(120.06326,0.07507508);(121.02668,0.02002002);(121.05568,0.01401401);(121.06261,0.03603604);(127.052,0.03103103);(127.05672,0.01601602);(128.06274,0.07007007);(129.06363,0.04404404);(129.07271,0.02202202);(131.04449,0.01301301);(132.06534,0.01001001);(135.04117,0.06406406);(136.04861,0.01301301);(139.05135,0.01001001);(140.05434,0.01301301);(141.06815,0.06106106);(141.08009,0.01101101);(142.08321,0.01101101);(144.0553,0.02502503);(145.06235,0.01001001);(145.98141,0.01201201);(151.05635,0.03303303);(152.06294,0.01101101);(153.04346,0.01101101);(153.07077,0.16116116);(154.07872,0.07307307);(155.07059,0.01001001);(155.08095,0.01001001);(155.09018,0.06106106);(155.09859,0.01001001);(156.36263,0.01101101);(157.06296,0.08508509);(158.06813,0.02002002);(158.30553,0.01101101);(159.07117,0.01101101);(164.04944,0.01101101);(164.06737,0.04804805);(165.05927,0.06106106);(165.07115,0.4044044);(166.07339,0.02802803);(167.08969,0.01601602);(168.05447,0.04104104);(169.54063,0.01001001);(173.06538,0.01801802);(181.06468,0.07307307);(181.07321,0.01401401);(182.06293,0.01201201);(183.0715,0.01301301);(183.07878,0.01501502);(183.08528,0.01001001);(194.07484,0.02002002);(197.077,0.01101101);(210.07076,0.01001001);(211.07951,0.02802803);(212.08032,0.01101101)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(67.19958,0.00900901);(73.26812,0.00600601);(73.61375,0.01301301);(73.63643,0.00600601);(77.04117,0.01501502);(79.05703,0.00500501);(81.03139,0.00700701);(85.03087,0.01501502);(90.04327,0.00500501);(91.04539,0.01001001);(91.0542,0.09009009);(92.05544,0.00700701);(105.05117,0.00600601);(107.04955,0.24324324);(108.05563,0.00600601);(109.0191,0.00700701);(109.02918,0.01901902);(111.04118,0.02702703);(115.05382,0.00800801);(119.05055,0.05005005);(120.05112,0.03203203);(120.06052,0.01801802);(121.02671,0.02202202);(121.47987,0.00500501);(122.05322,0.00500501);(122.38733,0.00600601);(123.0359,0.00600601);(127.05559,0.01101101);(129.06847,0.00600601);(131.08023,0.00900901);(132.05202,0.00600601);(134.02879,0.00900901);(135.0442,0.19319319);(136.04402,0.01401401);(136.04974,0.03403403);(138.05365,0.00800801);(141.06593,0.00600601);(141.07254,0.01501502);(142.07364,0.00800801);(144.05556,0.00500501);(145.06773,0.02002002);(146.0648,0.00600601);(152.05798,0.01001001);(153.0715,0.03503504);(153.07922,0.01801802);(154.07269,0.01501502);(154.08221,0.01201201);(155.06708,0.01001001);(155.07828,0.01101101);(155.08429,0.03003003);(155.09201,0.00800801);(157.05754,0.00800801);(157.06822,0.02502503);(158.07645,0.00600601);(163.06314,0.01601602);(165.06067,0.01401401);(165.07469,0.06206206);(165.22063,0.00600601);(166.063,0.00600601);(166.08116,0.01201201);(167.0795,0.00900901);(169.05634,0.00800801);(169.06491,0.00600601);(171.03893,0.01101101);(173.05327,0.01301301);(173.09778,0.00600601);(181.03198,0.00600601);(181.06244,0.02302302);(181.87265,0.00600601);(182.07143,0.00800801);(183.08717,0.02502503);(184.08405,0.00600601);(185.04887,0.00600601);(185.0732,0.00500501);(187.04436,0.00600601);(187.07227,0.00600601);(190.60591,0.00700701);(193.04707,0.00600601);(193.05763,0.01701702);(193.06808,0.02202202);(198.06509,0.00700701);(199.07295,0.00600601);(201.09018,0.00600601);(209.05487,0.00600601);(209.11012,0.00600601);(210.04326,0.00600601);(210.05844,0.01101101);(210.0661,0.01201201);(211.07251,0.05105105);(212.08348,0.00600601);(213.04395,0.00700701);(214.06087,0.00600601);(227.00563,0.00500501);(227.0735,0.00500501);(228.08144,0.11111111);(228.10358,0.00600601);(228.15706,0.01001001);(229.08536,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(107.04958,0.01201201);(119.05001,0.02002002);(135.04362,0.07207207);(211.07784,0.02602603);(228.07777,0.14014014);(229.08566,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(65.03978,0.13213213);(67.05481,0.08308308);(79.05598,0.13713714);(80.0571,0.17217217);(91.05236,0.08808809);(91.05957,0.09309309);(95.05264,0.0980981);(103.0506,0.08808809);(107.04738,0.17617618);(107.05856,0.10810811);(119.05123,0.1961962);(126.0401,0.14714715);(128.05777,0.32432432);(129.06448,0.13713714);(129.07368,0.11811812);(131.05193,0.21621622);(139.04575,0.16716717);(139.05379,0.08308308);(144.0463,0.08808809);(144.05957,0.16216216);(151.05336,0.12712713);(152.06091,1.0);(153.0715,0.62262262);(163.03999,0.17617618);(164.06111,0.24524525);(165.06671,0.28928929);(181.06165,0.26026026);(181.07324,0.11311311);(181.08226,0.08308308)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(119.05121,0.02602603);(135.04384,0.08308308);(136.04756,0.00700701);(183.08105,0.01101101);(184.08089,0.00700701);(186.95947,0.00600601);(211.07237,0.01301301);(228.07861,0.13713714);(229.08543,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(111.0424,0.00800801);(119.04897,0.01701702);(135.04482,0.08608609);(136.0426,0.00600601);(211.07466,0.01801802);(212.07378,0.00500501);(228.07829,0.14414414);(229.08621,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(117.02969,0.00800801);(119.04862,0.01201201);(141.06999,0.00900901);(143.04929,0.17617618);(144.054,0.02002002);(145.03297,0.00600601);(157.06631,0.03503504);(159.08083,0.02702703);(181.06648,0.01201201);(183.08228,0.03403403);(184.08507,0.00500501);(185.05959,0.13713714);(186.06303,0.01101101);(225.0536,0.00600601);(227.07025,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.03328,0.27327327);(115.05583,0.16516517);(116.03156,0.18218218);(117.03122,0.2982983);(119.04732,0.17417417);(143.0495,1.0);(143.05942,0.1981982)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(77.03898,0.28028028);(89.03298,0.25625626);(93.03532,0.26826827);(103.04962,0.30530531);(115.05321,1.0);(117.02795,0.22022022)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(77.03758,0.01201201);(93.03358,0.00900901);(107.04688,0.00700701);(114.04178,0.00800801);(115.05219,0.07007007);(116.05279,0.00700701);(116.05782,0.00700701);(116.0631,0.00800801);(117.02638,0.01601602);(117.03082,0.04304304);(117.03651,0.03003003);(117.04327,0.00600601);(118.02677,0.00700701);(119.04344,0.02602603);(119.05099,0.00600601);(126.04836,0.00800801);(129.06917,0.00700701);(138.93672,0.00900901);(139.05272,0.00900901);(141.06705,0.02402402);(142.06902,0.00700701);(143.04849,1.0);(144.05092,0.11511512);(145.05688,0.00700701);(153.07358,0.00700701);(156.05927,0.02502503);(157.0542,0.00800801);(157.06201,0.02202202);(158.07306,0.00700701);(159.04236,0.00800801);(159.07596,0.01401401);(160.08026,0.01401401);(160.089,0.00900901);(161.06039,0.00900901);(161.08154,0.00700701);(167.04784,0.02702703);(169.06911,0.00700701);(180.04622,0.00700701);(180.05667,0.01701702);(181.05171,0.00700701);(181.063,0.05505506);(181.07172,0.01301301);(182.07385,0.05505506);(183.03192,0.00900901);(183.04056,0.01601602);(183.07498,0.01901902);(184.04541,0.02402402);(184.06136,0.00700701);(185.0602,0.05105105);(197.05064,0.01001001);(197.05658,0.00700701);(227.07532,0.00700701)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(93.03274,0.20720721);(115.05898,0.16216216);(117.03278,0.16216216);(119.04912,0.27927928);(121.03302,0.16216216);(143.04787,1.0);(144.05629,0.18018018);(158.06865,0.16216216)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(115.05165,0.00600601);(115.05748,0.00700701);(117.03465,0.01301301);(119.04678,0.01201201);(141.06636,0.00700701);(141.07184,0.00800801);(143.04865,0.15615616);(144.04964,0.01301301);(144.06194,0.00600601);(156.0536,0.00500501);(156.8495,0.00500501);(157.06615,0.01101101);(158.06271,0.00700701);(159.08176,0.03103103);(181.06319,0.01301301);(182.06883,0.00600601);(183.04565,0.00600601);(183.07845,0.02602603);(184.07782,0.00600601);(185.05931,0.15515516);(186.06087,0.01301301);(186.06866,0.01101101);(227.07048,1.0)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(64.99952,0.00700701);(83.00963,0.00600601);(93.03612,0.01501502);(115.04917,0.05905906);(115.0556,0.06906907);(116.0587,0.02102102);(117.03258,0.06406406);(117.03981,0.03003003);(118.0434,0.00800801);(119.05013,0.05105105);(121.02879,0.00700701);(128.06186,0.00700701);(129.06995,0.00800801);(141.0636,0.01301301);(142.03548,0.00600601);(142.07318,0.00600601);(143.04854,1.0);(144.04405,0.03003003);(144.05295,0.11511512);(145.93297,0.00800801);(153.07274,0.00700701);(156.05502,0.00800801);(157.06514,0.04704705);(157.07509,0.01101101);(158.06813,0.00600601);(159.08321,0.03903904);(160.08237,0.00700701);(167.05055,0.02602603);(180.05623,0.00700701);(181.06683,0.06206206);(182.07071,0.02902903);(182.07808,0.02902903);(183.04488,0.01401401);(183.07751,0.01701702);(183.08546,0.00900901);(184.04561,0.00800801);(184.08598,0.00800801);(185.04994,0.01101101);(185.05988,0.05905906);(186.06848,0.00700701);(208.05682,0.00700701);(225.06761,0.00600601);(226.05743,0.00700701)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(90.04091,0.00900901);(93.03133,0.01801802);(115.04993,0.04804805);(115.0563,0.05905906);(116.06617,0.00800801);(117.02614,0.04104104);(117.04002,0.00900901);(117.06097,0.00700701);(118.03964,0.00800801);(119.04205,0.01601602);(119.04932,0.02602603);(132.02164,0.01001001);(141.03394,0.00800801);(141.07408,0.00900901);(142.04187,0.03003003);(143.04883,1.0);(143.06215,0.00700701);(143.43108,0.00900901);(144.05232,0.10610611);(145.0528,0.01601602);(154.06496,0.00800801);(154.98642,0.00800801);(156.05249,0.01601602);(157.05876,0.01101101);(157.0648,0.02802803);(157.07462,0.00800801);(159.0826,0.02702703);(160.08203,0.00900901);(166.03029,0.00700701);(170.03113,0.01001001);(171.07608,0.00700701);(180.05695,0.01501502);(181.06195,0.03503504);(181.07108,0.01601602);(182.07448,0.05005005);(183.04105,0.02102102);(183.05684,0.00800801);(183.08324,0.01801802);(184.04428,0.00700701);(184.05527,0.00700701);(185.06017,0.03403403);(185.06914,0.00900901);(197.05225,0.01001001);(197.06093,0.00800801)
LC-MS/MS	LC-ESI-QTOF	Negative	low	View Spectrum	(117.03178,0.00800801);(119.04917,0.02002002);(143.0491,0.17517518);(144.0499,0.00700701);(144.05847,0.01001001);(145.02635,0.01001001);(157.0638,0.01601602);(159.07983,0.03003003);(181.06311,0.01101101);(182.07378,0.01201201);(183.07944,0.04604605);(185.05974,0.16716717);(186.0659,0.01401401);(225.05138,0.00500501);(226.06398,0.00700701);(227.07004,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(65.03621,0.01601602);(77.03352,0.02002002);(78.03423,0.00700701);(85.07626,0.00600601);(89.04183,0.01201201);(91.04562,0.01401401);(91.05425,0.06506507);(93.03033,0.00700701);(95.05126,0.01501502);(96.04946,0.00800801);(103.05504,0.01901902);(107.01791,0.00600601);(107.03445,0.00700701);(107.04535,0.07807808);(107.04939,0.17417417);(108.04875,0.00700701);(108.05267,0.01301301);(109.0265,0.01201201);(111.05222,0.00700701);(115.04986,0.00600601);(118.02339,0.00700701);(119.04726,0.11311311);(120.05665,0.06106106);(121.01941,0.00700701);(121.02745,0.01101101);(123.03982,0.00600601);(129.06384,0.00600601);(133.06046,0.00600601);(134.03461,0.01301301);(135.00517,0.00600601);(135.03087,0.01201201);(135.04349,0.27527528);(135.05571,0.00600601);(136.04778,0.02402402);(137.02419,0.00500501);(140.05891,0.00900901);(141.06357,0.01301301);(141.07271,0.02202202);(142.07137,0.00900901);(143.03127,0.00600601);(143.05032,0.00600601);(145.02704,0.01301301);(145.05754,0.00600601);(145.09952,0.00800801);(146.056,0.00800801);(152.06471,0.02702703);(153.07066,0.02302302);(154.06885,0.00500501);(154.07736,0.01401401);(155.07762,0.00700701);(155.08392,0.01601602);(157.06691,0.02402402);(158.07135,0.00600601);(158.07796,0.01401401);(161.05188,0.00600601);(162.10333,0.00700701);(164.05997,0.00500501);(165.0661,0.06306306);(165.07376,0.04004004);(166.07315,0.02502503);(168.06235,0.00700701);(171.08179,0.00700701);(173.03996,0.00800801);(173.05545,0.01501502);(173.98413,0.00700701);(174.10088,0.00700701);(181.04222,0.01401401);(181.05716,0.01101101);(181.07611,0.01401401);(182.07031,0.00800801);(183.06876,0.01801802);(183.07629,0.02802803);(183.08658,0.03103103);(184.04614,0.00600601);(193.06583,0.01901902);(197.0562,0.00900901);(200.76466,0.00600601);(201.09306,0.00700701);(210.06113,0.01701702);(210.07063,0.01201201);(210.07787,0.00700701);(211.07129,0.03303303);(211.08102,0.04904905);(212.07669,0.00700701);(213.05026,0.01601602);(213.05728,0.00800801);(214.05405,0.00600601);(227.0573,0.00500501);(227.06812,0.02002002);(228.05887,0.00700701);(228.07774,0.16216216);(228.44719,0.00900901);(229.03195,0.00700701);(229.041,0.00500501);(229.06531,0.01101101);(229.08516,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(65.036,0.016);(77.034,0.02);(89.042,0.012);(91.046,0.014);(91.054,0.065);(95.051,0.015);(103.055,0.019);(107.045,0.078);(107.049,0.174);(108.053,0.013);(109.026,0.012);(119.047,0.113);(120.057,0.061);(121.027,0.011);(134.035,0.013);(135.031,0.012);(135.043,0.276);(136.048,0.024);(141.064,0.013);(141.073,0.022);(145.027,0.013);(152.065,0.027);(153.071,0.024);(154.077,0.014);(155.084,0.016);(157.067,0.024);(158.078,0.014);(165.066,0.063);(165.074,0.04);(166.073,0.025);(173.055,0.015);(181.042,0.014);(181.057,0.011);(181.076,0.014);(183.069,0.018);(183.076,0.028);(183.087,0.031);(193.066,0.019);(210.061,0.017);(210.071,0.012);(211.071,0.033);(211.081,0.049);(213.05,0.016);(227.068,0.02);(228.078,0.163);(229.065,0.011);(229.085,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(107.05,0.012);(119.05,0.02);(135.044,0.072);(211.078,0.026);(228.078,0.14);(229.086,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(55.02,0.015);(65.026,0.019);(65.041,0.045);(67.055,0.015);(71.157,0.013);(77.029,0.015);(77.037,0.102);(79.053,0.084);(91.054,0.341);(92.055,0.014);(92.062,0.057);(93.038,0.017);(98.83,0.013);(103.038,0.013);(105.071,0.013);(107.031,0.021);(107.038,0.044);(107.049,1.0);(108.051,0.042);(108.056,0.039);(108.56,0.013);(109.024,0.013);(109.03,0.018);(110.032,0.019);(110.04,0.031);(115.054,0.027);(115.063,0.027);(117.074,0.018);(118.046,0.019);(119.046,0.035);(119.054,0.034);(120.054,0.099);(120.065,0.013);(121.026,0.09);(121.059,0.038);(121.233,0.013);(127.056,0.072);(128.062,0.016);(129.072,0.057);(131.05,0.059);(131.087,0.013);(132.08,0.028);(134.065,0.016);(135.044,0.11);(136.052,0.011);(136.058,0.019);(137.056,0.013);(139.055,0.042);(139.06,0.022);(140.062,0.036);(141.067,0.076);(141.073,0.051);(143.085,0.015);(144.057,0.054);(145.063,0.053);(145.071,0.038);(152.058,0.026);(152.066,0.019);(153.035,0.018);(153.06,0.028);(153.07,0.168);(154.074,0.022);(154.082,0.031);(155.045,0.014);(155.059,0.022);(155.081,0.036);(155.089,0.015);(157.048,0.018);(157.062,0.048);(157.07,0.015);(164.055,0.012);(164.065,0.05);(165.071,0.596);(166.049,0.037);(166.068,0.015);(166.077,0.099);(168.052,0.013);(168.063,0.022);(171.039,0.017);(173.058,0.031);(181.066,0.201);(182.063,0.014);(182.073,0.054);(183.059,0.014);(183.078,0.013);(184.083,0.041);(185.052,0.015);(187.04,0.013);(192.06,0.013);(193.068,0.063);(194.064,0.022);(194.078,0.013);(199.087,0.026);(200.072,0.04);(201.086,0.015);(209.075,0.017);(210.067,0.027);(211.068,0.019);(213.045,0.063);(213.06,0.031)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(68.993,0.132);(78.052,0.139);(91.056,0.306);(92.055,0.16);(94.043,0.215);(107.048,0.493);(108.052,0.139);(115.052,0.188);(115.06,0.194);(116.061,0.139);(120.059,0.139);(128.058,0.153);(129.068,0.146);(132.051,0.243);(139.054,0.299);(140.065,0.118);(151.064,0.236);(152.044,0.118);(152.054,0.132);(153.071,1.0);(156.062,0.132);(164.062,0.424);(165.072,0.917);(168.059,0.146)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(73.614,0.013);(77.041,0.015);(85.031,0.015);(91.045,0.01);(91.054,0.09);(107.05,0.243);(109.029,0.019);(111.041,0.027);(119.051,0.05);(120.051,0.032);(120.061,0.018);(121.027,0.022);(127.056,0.011);(135.044,0.193);(136.044,0.014);(136.05,0.034);(141.073,0.015);(145.068,0.02);(152.058,0.01);(153.072,0.035);(153.079,0.018);(154.073,0.015);(154.082,0.012);(155.067,0.01);(155.078,0.011);(155.084,0.03);(157.068,0.025);(163.063,0.016);(165.061,0.014);(165.075,0.062);(166.081,0.012);(171.039,0.011);(173.053,0.013);(181.062,0.023);(183.087,0.025);(193.058,0.017);(193.068,0.022);(210.058,0.011);(210.066,0.012);(211.073,0.051);(228.081,0.111);(228.157,0.01);(229.085,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(119.049,0.017);(135.045,0.086);(211.075,0.018);(228.078,0.144);(229.086,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(77.037,0.015);(77.043,0.014);(78.044,0.011);(79.046,0.031);(79.052,0.033);(79.058,0.029);(90.045,0.017);(91.03,0.016);(91.055,0.18);(93.057,0.016);(94.043,0.02);(95.053,0.018);(95.056,0.01);(102.048,0.019);(103.054,0.015);(104.067,0.01);(105.069,0.012);(107.048,1.0);(107.958,0.011);(108.053,0.032);(108.457,0.012);(109.02,0.011);(109.028,0.014);(110.037,0.014);(115.053,0.056);(116.064,0.011);(117.495,0.016);(117.888,0.01);(118.067,0.011);(119.046,0.027);(119.052,0.032);(120.054,0.086);(120.063,0.075);(121.027,0.02);(121.056,0.014);(121.063,0.036);(127.052,0.031);(127.057,0.016);(128.063,0.07);(129.064,0.044);(129.073,0.022);(131.044,0.013);(132.065,0.01);(135.041,0.064);(136.049,0.013);(139.051,0.01);(140.054,0.013);(141.068,0.061);(141.08,0.011);(142.083,0.011);(144.055,0.025);(145.062,0.01);(145.981,0.012);(151.056,0.033);(152.063,0.011);(153.043,0.011);(153.071,0.161);(154.079,0.073);(155.071,0.01);(155.081,0.01);(155.09,0.061);(155.099,0.01);(156.363,0.011);(157.063,0.085);(158.068,0.02);(158.306,0.011);(159.071,0.011);(164.049,0.011);(164.067,0.048);(165.059,0.061);(165.071,0.404);(166.073,0.028);(167.09,0.016);(168.054,0.041);(169.541,0.01);(173.065,0.018);(181.065,0.073);(181.073,0.014);(182.063,0.012);(183.072,0.013);(183.079,0.015);(183.085,0.01);(194.075,0.02);(197.077,0.011);(210.071,0.01);(211.08,0.028);(212.08,0.011)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(65.04,0.132);(67.055,0.083);(79.056,0.137);(80.057,0.172);(91.052,0.088);(91.06,0.093);(95.053,0.098);(103.051,0.088);(107.047,0.176);(107.059,0.108);(119.051,0.196);(126.04,0.147);(128.058,0.324);(129.064,0.137);(129.074,0.118);(131.052,0.216);(139.046,0.167);(139.054,0.083);(144.046,0.088);(144.06,0.162);(151.053,0.127);(152.061,1.0);(153.072,0.623);(163.04,0.176);(164.061,0.245);(165.067,0.289);(181.062,0.26);(181.073,0.113);(181.082,0.083)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(79.054,0.016);(91.055,0.06);(105.041,0.015);(107.05,0.277);(108.053,0.018);(109.031,0.011);(111.043,0.025);(115.054,0.015);(119.048,0.171);(120.054,0.031);(120.062,0.018);(121.026,0.012);(123.044,0.022);(128.063,0.014);(131.049,0.012);(135.044,0.278);(136.049,0.011);(141.06,0.023);(143.055,0.01);(145.064,0.032);(153.061,0.013);(153.07,0.026);(153.966,0.011);(157.072,0.018);(157.773,0.01);(163.051,0.01);(164.058,0.019);(165.063,0.065);(165.071,0.087);(166.078,0.014);(181.07,0.029);(182.061,0.012);(183.079,0.037);(186.967,0.013);(193.066,0.031);(201.096,0.021);(210.07,0.01);(211.066,0.014);(211.079,0.019);(227.072,0.034);(228.076,0.121);(229.087,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	low	View Spectrum	(119.051,0.026);(135.044,0.083);(183.081,0.011);(211.072,0.013);(228.079,0.137);(229.085,1.0)
LC-MS/MS	LC-ESI-QTOF	Positive	medium	View Spectrum	(68.998,0.014);(71.013,0.024);(77.037,0.052);(79.048,0.023);(79.054,0.079);(89.035,0.017);(91.053,0.407);(93.03,0.013);(93.036,0.066);(94.04,0.019);(95.055,0.017);(105.059,0.017);(106.035,0.014);(107.049,1.0);(108.048,0.036);(109.031,0.015);(109.052,0.015);(110.039,0.035);(111.044,0.017);(115.057,0.022);(116.056,0.069);(117.06,0.019);(117.069,0.019);(117.122,0.023);(119.046,0.1);(120.056,0.028);(120.062,0.042);(121.032,0.016);(121.057,0.018);(121.066,0.017);(123.04,0.035);(123.051,0.019);(127.055,0.021);(127.06,0.019);(128.056,0.018);(128.065,0.016);(129.072,0.017);(130.081,0.023);(131.042,0.015);(131.081,0.026);(132.033,0.022);(134.038,0.031);(135.004,0.023);(135.044,0.092);(136.051,0.08);(137.054,0.018);(141.072,0.053);(142.065,0.017);(142.075,0.022);(143.083,0.032);(144.045,0.018);(144.056,0.027);(145.056,0.048);(145.065,0.02);(146.064,0.034);(147.045,0.023);(152.062,0.031);(153.064,0.075);(153.072,0.129);(154.078,0.067);(155.076,0.034);(155.092,0.019);(156.088,0.032);(157.062,0.037);(158.07,0.032);(161.058,0.018);(164.048,0.018);(164.06,0.034);(165.051,0.014);(165.071,0.396);(166.059,0.014);(166.067,0.035);(166.078,0.07);(166.215,0.014);(167.086,0.023);(171.037,0.018);(173.063,0.02);(181.063,0.248);(182.067,0.033);(182.081,0.069);(183.047,0.015);(183.077,0.028);(184.035,0.021);(184.322,0.015);(185.055,0.015);(186.058,0.015);(186.07,0.018);(192.131,0.014);(194.062,0.017);(198.068,0.019);(199.073,0.015);(199.085,0.018);(209.06,0.017);(211.069,0.014);(213.054,0.096);(214.065,0.018);(227.08,0.014)
LC-MS/MS	LC-ESI-QTOF	Positive	high	View Spectrum	(75.023,0.22);(77.037,0.349);(81.032,0.156);(91.057,0.404);(92.054,0.174);(92.068,0.156);(94.04,0.165);(107.047,0.349);(112.014,0.257);(112.02,0.33);(119.05,0.633);(120.06,0.156);(126.053,0.202);(127.051,0.229);(128.071,0.165);(129.073,0.165);(130.034,0.183);(133.029,0.394);(145.06,0.156);(151.051,0.165);(152.061,0.45);(153.066,0.339);(154.076,0.156);(157.067,0.468);(163.052,0.349);(164.043,0.239);(164.066,0.422);(165.071,1.0);(165.084,0.202);(171.077,0.229);(181.059,0.376);(182.074,0.257);(228.083,0.202);(229.092,0.183)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.1273099625);(55.01838972,0.0885404894);(57.03403978,0.1004261423);(69.03403978,0.0687532288);(71.01330434,0.0651549041);(79.01838972,0.0478313633);(81.03403978,0.0963215097);(95.04968984,0.9320143752);(111.0446045,0.9240069782);(119.0496898,2.331061833);(135.0446045,2.311152238);(143.0496898,0.1746072509);(145.0653399,0.157692906);(149.0602545,0.1333760625);(159.0446045,0.1475135269);(159.08099,0.1344270419);(161.0602545,0.0910996106);(161.09664,0.057929189);(173.0602545,0.055142848);(175.0759046,0.1080192197);(185.0602545,0.285771561);(187.0759046,0.2941797577);(193.0653399,0.0384326215);(197.0602545,0.2720301456);(199.0395191,0.0561991524);(199.0759046,0.5253745938);(201.0551691,0.1479521003);(203.0708192,0.1128523667);(211.0759046,3.89158422);(213.0551691,0.9937194469);(229.0864693,85.22952335)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(45.03403978,0.3746764166);(51.0234751,0.3780344356);(68.99765427,0.3135096081);(71.01330434,0.2428119432);(79.01838972,0.2925497832);(81.03403978,0.3045849248);(93.03403978,0.2851522093);(95.04968984,1.963714746);(111.0446045,1.945524749);(117.0340398,0.3684744485);(119.0496898,9.210640328);(135.0446045,9.188743066);(143.0496898,2.142684449);(145.0653399,2.267583422);(149.0602545,0.4430788568);(159.0446045,0.6198132683);(161.0602545,0.3106346267);(161.09664,0.3241878551);(167.0496898,0.2391383696);(169.0289544,0.3136292411);(171.0446045,0.2617736157);(173.0602545,0.799521375);(175.0759046,0.5726576097);(185.0602545,3.304239866);(187.0759046,3.060631765);(197.0602545,0.7866618364);(199.0759046,2.182197866);(201.0551691,0.3861100492);(211.0759046,5.302418174);(213.0551691,0.7723931759);(229.0864693,51.04222792)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(51.0234751,7.249418202);(65.03912516,3.821141642);(77.03912516,2.269237559);(79.01838972,2.059372254);(89.03912516,4.618536301);(93.03403978,5.099864527);(95.04968984,2.263074336);(111.0446045,3.174904205);(117.0340398,4.266661556);(119.0496898,8.677598437);(127.0547752,1.444461651);(129.0704253,2.006963066);(135.0446045,9.922096139);(141.0340398,1.087990803);(143.0496898,5.751821958);(145.0653399,1.240377047);(159.0446045,3.216237907);(167.0496898,1.183184663);(169.0289544,1.634257557);(169.0653399,3.241893673);(171.0446045,1.144013407);(179.0496898,1.643687074);(181.0653399,1.414026149);(185.0602545,2.428319297);(187.0759046,1.453198478);(193.0653399,3.346606959);(197.0602545,1.790257355);(199.0759046,1.992110887);(211.0759046,7.7750456);(213.0551691,1.378531131);(229.0864693,1.405110181)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.1499638841);(41.00273965,0.0728775461);(43.01838972,0.1275853843);(57.03403978,0.0252146668);(67.01838972,0.0494922534);(69.03403978,0.0208919482);(83.01330434,0.0542994242);(93.03403978,0.1700552548);(109.0289544,0.1658636258);(117.0340398,0.0256394682);(133.0289544,0.025555485);(141.0340398,0.0101926891);(143.0496898,0.0340214912);(147.0446045,0.021791026);(149.0602545,0.0107697777);(157.0289544,0.0068507589);(157.0653399,0.4571635195);(159.0446045,0.0279334706);(159.08099,0.0392901851);(171.0446045,0.0143277474);(173.0602545,0.0218580644);(183.0446045,0.1368607721);(185.0602545,0.3290258069);(191.0496898,0.0075653467);(195.0446045,0.0858863843);(197.0602545,0.1767605838);(199.0395191,0.012268766);(201.0551691,0.0838894602);(209.0602545,1.540221147);(211.0395191,0.1051466);(227.0708192,95.99073746)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.1298894876);(41.00273965,0.1023920643);(43.01838972,0.0744642817);(57.03403978,0.0439402809);(67.01838972,0.0961531092);(83.01330434,0.092402619);(93.03403978,0.5252949917);(109.0289544,0.4866189827);(117.0340398,0.1361887993);(133.0289544,0.1356138924);(141.0340398,0.0665322519);(143.0496898,0.300154301);(147.0446045,0.1609465592);(149.0602545,0.0487149215);(157.0289544,0.0402542754);(157.0653399,0.9567618834);(159.0446045,0.1536021502);(159.08099,0.299728172);(167.0496898,0.031936394);(171.0446045,0.1172713382);(173.0602545,0.1654598653);(183.0446045,1.780615942);(185.0602545,3.49574112);(195.0446045,0.9810479725);(197.023869,0.0780781603);(197.0602545,0.6767339806);(199.0395191,0.186910933);(201.0551691,0.3508120579);(209.0602545,3.524447554);(211.0395191,0.5717322871);(227.0708192,84.18955937)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00273965,5.412190962);(43.01838972,0.8110480872);(57.03403978,0.7005554967);(63.0234751,0.9868693459);(67.01838972,1.565879035);(77.00273965,0.6714752094);(91.01838972,1.506567804);(93.03403978,7.610399858);(109.0289544,5.531078868);(117.0340398,2.21176271);(127.0547752,1.236454719);(133.0289544,1.892698941);(141.0340398,2.847608331);(143.0496898,3.928648617);(157.0653399,5.061950269);(159.0446045,1.504042703);(159.08099,1.690235507);(167.0133043,0.9783278287);(167.0496898,1.359957401);(169.0289544,3.10301055);(173.0602545,0.8441513448);(183.0446045,5.254464035);(185.0602545,10.81049739);(191.0496898,1.477959294);(195.0446045,3.00209991);(197.0602545,3.443898667);(199.0395191,0.6664642215);(201.0551691,1.623793045);(209.0602545,6.582972884);(211.0395191,3.054600683);(227.0708192,12.62833629)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(227.07137,100.0);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(41.00329,6.8);(141.03459,4.8);(143.05024,8.54);(143.05024,8.54);(143.05024,8.54);(143.05024,8.54);(157.06589,8.12);(157.06589,8.12);(157.06589,8.12);(185.0608,7.75);(185.0608,7.75);(185.0608,7.75);(185.0608,7.75);(185.0608,7.75);(225.05572,15.95);(225.05572,15.95);(225.05572,15.95);(225.05572,15.95);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0);(227.07137,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,26.0);(93.03459,25.64);(93.03459,25.64);(117.03459,49.61);(117.03459,49.61);(117.03459,49.61);(117.03459,49.61);(119.05024,25.19);(141.03459,74.99);(143.05024,100.0);(143.05024,100.0);(143.05024,100.0);(143.05024,100.0);(147.04515,47.89);(147.04515,47.89);(147.04515,47.89);(157.06589,23.06);(157.06589,23.06);(157.06589,23.06);(159.04515,28.62);(159.04515,28.62);(181.06589,22.41);(183.04515,22.59);(183.04515,22.59);(183.04515,22.59);(183.04515,22.59);(183.04515,22.59);(183.04515,22.59);(185.0608,16.96);(185.0608,16.96);(185.0608,16.96);(185.0608,16.96);(185.0608,16.96);(201.05572,23.96);(209.0608,24.7);(209.0608,24.7);(209.0608,24.7);(209.0608,24.7);(209.0608,24.7);(225.05572,92.2);(225.05572,92.2);(225.05572,92.2);(225.05572,92.2)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(229.08592,100.0);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(91.05423,5.73);(91.05423,5.73);(107.04914,9.81);(119.04914,12.18);(119.04914,12.18);(119.04914,12.18);(119.04914,12.18);(123.04406,9.55);(123.04406,9.55);(123.04406,9.55);(123.04406,9.55);(135.04406,21.89);(135.04406,21.89);(135.04406,21.89);(135.04406,21.89);(141.03349,20.78);(141.03349,20.78);(143.04914,14.28);(143.04914,14.28);(145.06479,19.35);(145.06479,19.35);(145.06479,19.35);(145.06479,19.35);(157.06479,30.1);(157.06479,30.1);(157.06479,30.1);(157.06479,30.1);(159.08044,27.79);(159.08044,27.79);(159.08044,27.79);(159.08044,27.79);(183.04406,6.75);(183.04406,6.75);(183.04406,6.75);(183.04406,6.75);(183.04406,6.75);(183.04406,6.75);(183.04406,6.75);(183.08044,21.22);(183.08044,21.22);(183.08044,21.22);(185.05971,8.73);(185.05971,8.73);(185.05971,8.73);(185.05971,8.73);(185.05971,8.73);(187.07536,12.74);(187.07536,12.74);(187.07536,12.74);(187.07536,12.74);(201.09101,8.45);(201.09101,8.45);(201.09101,8.45);(201.09101,8.45);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(211.07536,20.5);(227.07027,6.05);(227.07027,6.05);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0);(229.08592,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(65.03858,42.83);(65.03858,42.83);(75.02293,50.27);(75.02293,50.27);(77.03858,57.31);(77.03858,57.31);(89.03858,39.61);(91.05423,74.79);(91.05423,74.79);(101.03858,23.7);(101.03858,23.7);(103.05423,38.7);(117.03349,79.71);(117.03349,79.71);(117.03349,79.71);(117.03349,79.71);(117.06988,21.07);(119.04914,21.19);(119.04914,21.19);(119.04914,21.19);(119.04914,21.19);(125.03858,59.6);(129.03349,24.47);(129.03349,24.47);(129.03349,24.47);(129.06988,28.74);(135.04406,20.91);(135.04406,20.91);(135.04406,20.91);(135.04406,20.91);(141.03349,81.4);(141.03349,81.4);(141.06988,25.06);(145.06479,22.1);(145.06479,22.1);(145.06479,22.1);(145.06479,22.1);(157.02841,20.12);(157.06479,71.21);(157.06479,71.21);(157.06479,71.21);(157.06479,71.21);(159.04406,24.0);(159.08044,30.3);(159.08044,30.3);(159.08044,30.3);(159.08044,30.3);(161.05971,35.05);(167.04914,49.02);(167.04914,49.02);(169.06479,26.74);(169.06479,26.74);(171.04406,50.0);(171.04406,50.0);(183.04406,35.16);(183.04406,35.16);(183.04406,35.16);(183.04406,35.16);(183.04406,35.16);(183.04406,35.16);(183.04406,35.16);(183.08044,45.75);(183.08044,45.75);(183.08044,45.75);(185.05971,49.8);(185.05971,49.8);(185.05971,49.8);(185.05971,49.8);(185.05971,49.8);(187.07536,100.0);(187.07536,100.0);(187.07536,100.0);(187.07536,100.0);(227.07027,37.26);(227.07027,37.26)

Food Sources

Name	Group
Apple juice	Beverages, Non-alcoholic	Publications	Show
Beer	Beverages, Alcoholic	Publications	Show
Black tea	Teas and herbal teas	Publications	Show
Camomile tea	Teas and herbal teas	Publications	Show
Ceylon tea	Teas and herbal teas	Publications	Show
Cranberry	Fruit, Berries	Publications	Show
Cranberry juice	Beverages, Non-alcoholic	Publications	Show
Dessert wine	Beverages, Alcoholic	Publications	Show
Green tea	Teas and herbal teas	Publications	Show
Peach juice	Beverages, Non-alcoholic	Publications	Show
Pistachio	Nuts	Publications	Show
Red grape juice	Beverages, Non-alcoholic	Publications	Show
Red tea	Teas and herbal teas	Publications	Show
Red wine	Beverages, Alcoholic	Publications	Show
Red wine grape	Beverages, Alcoholic	Publications	Show
Rosé wine	Beverages, Alcoholic	Publications	Show
Tilia tea	Teas and herbal teas	Publications	Show
Tomato	Vegetables, Fruit vegetables	Publications	Show
White grape juice	Beverages, Non-alcoholic	Publications	Show
White wine	Beverages, Alcoholic	Publications	Show
White wine grape	Fruit, Berries	Publications	Show

Food Sources of its Food Phytochemical(s)

Food Phytochemical	Food Source	Food Source Group
Piceid (cis-)	Apple	Fruit, Pomes	Publications	Show
Resveratrol (trans-)	Apple juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (cis-)	Apple juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Beer	Beverages, Alcoholic	Publications	Show
Piceid (cis-)	Beer	Beverages, Alcoholic	Publications	Show
Resveratrol (cis-)	Beer	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Bilberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Black tea	Teas and herbal teas	Publications	Show
Resveratrol (cis-)	Black tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Blueberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Camomile tea	Teas and herbal teas	Publications	Show
Resveratrol (cis-)	Camomile tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Ceylon tea	Teas and herbal teas	Publications	Show
Resveratrol (cis-)	Ceylon tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Chocolate	Cocoa and cocoa products	Publications	Show
Resveratrol (trans-)	Cocoa liquor	Cocoa and cocoa products	Publications	Show
Resveratrol (trans-)	Coffee	Coffee and coffee products	Publications	Show
Resveratrol (trans-)	Cranberry	Fruit, Berries	Publications	Show
Resveratrol (cis-)	Cranberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Cranberry juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (cis-)	Cranberry juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Deerberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Dessert wine	Beverages, Alcoholic	Publications	Show
Resveratrol (cis-)	Dessert wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	European cranberry	Fruit, Berries	Publications	Show
Pinosylvin	Grape	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Green tea	Teas and herbal teas	Publications	Show
Resveratrol (cis-)	Green tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Itadori tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Lingonberry	Fruit, Berries	Publications	Show
Piceid (cis-)	Lingonberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Mulberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Partridge berry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Peach juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (cis-)	Peach juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Peanut	Nuts	Publications	Show
Pinosylvin	Peanut	Nuts	Publications	Show
Resveratrol (trans-)	Pistachio	Nuts	Publications	Show
Piceid (cis-)	Pistachio	Nuts	Publications	Show
Resveratrol (cis-)	Pistachio	Nuts	Publications	Show
Resveratrol (trans-)	Pomace	Fruit, Other fruits	Publications	Show
Resveratrol (trans-)	Red champagne	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Red grape juice	Beverages, Non-alcoholic	Publications	Show
Piceid (cis-)	Red grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (cis-)	Red grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	Red tea	Teas and herbal teas	Publications	Show
Resveratrol (cis-)	Red tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Red wine	Beverages, Alcoholic	Publications	Show
Piceid (cis-)	Red wine	Beverages, Alcoholic	Publications	Show
Resveratrol (cis-)	Red wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Red wine grape	Beverages, Alcoholic	Publications	Show
Resveratrol (cis-)	Red wine grape	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Rosé wine	Beverages, Alcoholic	Publications	Show
Piceid (cis-)	Rosé wine	Beverages, Alcoholic	Publications	Show
Resveratrol (cis-)	Rosé wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	Sparkleberry	Fruit, Berries	Publications	Show
Piceid (cis-)	Strawberry	Fruit, Berries	Publications	Show
Resveratrol (trans-)	Tilia tea	Teas and herbal teas	Publications	Show
Resveratrol (cis-)	Tilia tea	Teas and herbal teas	Publications	Show
Resveratrol (trans-)	Tomato	Vegetables, Fruit vegetables	Publications	Show
Piceid (cis-)	Tomato	Vegetables, Fruit vegetables	Publications	Show
Resveratrol (cis-)	Tomato	Vegetables, Fruit vegetables	Publications	Show
Resveratrol (trans-)	White grape juice	Beverages, Non-alcoholic	Publications	Show
Piceid (cis-)	White grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (cis-)	White grape juice	Beverages, Non-alcoholic	Publications	Show
Resveratrol (trans-)	White wine	Beverages, Alcoholic	Publications	Show
Piceid (cis-)	White wine	Beverages, Alcoholic	Publications	Show
Resveratrol (cis-)	White wine	Beverages, Alcoholic	Publications	Show
Resveratrol (trans-)	White wine grape	Fruit, Berries	Publications	Show
Resveratrol (cis-)	White wine grape	Fruit, Berries	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
Resveratrol (cis-)	Piceid (cis-)	human zebrafish	LDL, plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₂₀H₂₂O₈	390.131467668	Publications
Resveratrol (cis-)	Resveratrol (cis-)	human	plasma	unchanged	1h-3h	50-200 nmol/L	Not Available	C₁₄H₁₂O₃	228.078644246	Publications
Resveratrol (cis-)	cis-Resveratrol-3-sulfate	human	urine	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₆S	308.03545928	Publications
Resveratrol (cis-)	cis-Resveratrol-4'-sulfate	human	urine	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₆S	308.03545928	Publications
Resveratrol (cis-)	cis-Resveratrol-3-O-glucuronide	human	plasma, urine	host metabolism	1h-3h	200-500 nmol/L	Not Available	C₂₀H₂₀O₉	404.110732224	Publications
Resveratrol (cis-)	cis-Resveratrol-4'-O-glucuronide	human	plasma, urine	host metabolism	1h-3h	50-200 nmol/L	Not Available	C₂₀H₂₀O₉	404.110732224	Publications
Resveratrol (trans-)	Resveratrol (cis-)	pig zebrafish	blood, cerebellum, colon tissue, colorectal tissue, duodenum tissue, ileum tissue, jejunum tissue, LDL, plasma, stomach, urine	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₃	228.078644246	Publications
Piceid (cis-)	Resveratrol (cis-)	zebrafish	Not Available	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₃	228.078644246	Publications
Pinosylvin	Resveratrol (cis-)	rat	plasma	host metabolism	Not Available	Not Available	Not Available	C₁₄H₁₂O₃	228.078644246	Publications

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

Back

Showing entry for Resveratrol (cis-)