PhytoHub: Showing entry for Dopamine

Dopamine

Identification

PhytoHub ID

PHUB000775

Name

Dopamine

Systematic Name

Not Available

Synonyms

3-Hydroxytyramine
3,4-Dihydroxyphenethylamine
4-(2-Aminoethyl)benzene-1,2-diol
4-(2-Aminoethyl)pyrocatechol

CAS Number

Not Available

Average Mass

153.181

Monoisotopic Mass

153.078978598

Chemical Formula

C₈H₁₁NO₂

IUPAC Name

4-(2-aminoethyl)benzene-1,2-diol

InChI Key

VYFYYTLLBUKUHU-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2

SMILES

NCCC1=CC(O)=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 7.43e+00 g/l
LogS (ALOGPS): -1.31
LogP (ALOGPS): -0.40
Hydrogen Acceptors: 3
Hydrogen Donors: 3
Rotatable Bond Count: 2
Polar Surface Area: 66.48
Refractivity: 43.2482
Polarizability: 16.21092686800735
Formal Charge: 0
Physiological Charge: 1
pKa (strongest basic): 9.271456202535882
pKa (strongest acidic): 10.007776384659529
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 18243
PubChem: 681
Chemistry Dashboard: DTXSID6022420
KNApSAcK: C00001408
MetaboLights: MTBLC18243
FooDB (Compounds): FDB012163
PeakForestCompound: 000600

Taxonomy as Food Phytochemical

Family: N-containing compounds
Class: Amines
Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Phenols
Super-class: Benzenoids
Sub-class: Benzenediols
Direct Parent Name: Catecholamines and derivatives
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "2-arylethylamines", "Aralkylamines", "Hydrocarbon derivatives", "Monoalkylamines", "Organooxygen compounds", "Organopnictogen compounds", "Phenethylamines"]
External Descriptor Annotations: ["Biogenic amines", "Dopamine", "Tyramine derivatives", "catecholamine"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "2-arylethylamine", "Amine", "Aralkylamine", "Aromatic homomonocyclic compound", "Catecholamine", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenethylamine", "Primary aliphatic amine", "Primary amine"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-EI-TOF (Pegasus III TOF-MS system, Leco; GC 6890, Agilent Technologies)	Positive	Not Available	View Spectrum	(85.0,0.004004004);(86.0,0.2242242242);(87.0,0.023023023);(88.0,0.009009009);(89.0,0.003003003);(90.0,0.001001001);(91.0,0.007007007);(95.0,0.001001001);(97.0,0.001001001);(99.0,0.003003003);(100.0,0.0960960961);(101.0,0.016016016);(102.0,0.03003003);(103.0,0.011011011);(104.0,0.014014014);(105.0,0.008008008);(106.0,0.001001001);(107.0,0.001001001);(109.0,0.001001001);(113.0,0.002002002);(114.0,0.002002002);(115.0,0.007007007);(116.0,0.009009009);(117.0,0.018018018);(118.0,0.004004004);(119.0,0.012012012);(120.0,0.001001001);(121.0,0.001001001);(128.0,0.001001001);(129.0,0.002002002);(130.0,0.029029029);(131.0,0.025025025);(132.0,0.006006006);(133.0,0.016016016);(134.0,0.002002002);(135.0,0.003003003);(136.0,0.001001001);(137.0,0.001001001);(143.0,0.001001001);(144.0,0.006006006);(145.0,0.004004004);(146.0,0.008008008);(147.0,0.022022022);(148.0,0.004004004);(149.0,0.013013013);(150.0,0.002002002);(151.0,0.002002002);(158.0,0.008008008);(159.0,0.003003003);(160.0,0.002002002);(161.0,0.003003003);(162.0,0.002002002);(163.0,0.003003003);(164.0,0.001001001);(165.0,0.001001001);(172.0,0.009009009);(173.0,0.003003003);(174.0,1.0);(175.0,0.1741741742);(176.0,0.0770770771);(177.0,0.014014014);(178.0,0.003003003);(179.0,0.0610610611);(180.0,0.01001001);(181.0,0.004004004);(189.0,0.001001001);(190.0,0.001001001);(191.0,0.001001001);(192.0,0.002002002);(193.0,0.009009009);(194.0,0.002002002);(195.0,0.002002002);(205.0,0.001001001);(207.0,0.002002002);(209.0,0.004004004);(210.0,0.001001001);(218.0,0.001001001);(219.0,0.001001001);(220.0,0.002002002);(221.0,0.002002002);(222.0,0.001001001);(223.0,0.002002002);(233.0,0.001001001);(234.0,0.001001001);(235.0,0.001001001);(237.0,0.011011011);(238.0,0.003003003);(239.0,0.001001001);(248.0,0.005005005);(249.0,0.002002002);(250.0,0.006006006);(251.0,0.003003003);(252.0,0.002002002);(264.0,0.006006006);(265.0,0.006006006);(266.0,0.002002002);(267.0,0.009009009);(268.0,0.004004004);(269.0,0.001001001);(280.0,0.001001001);(338.0,0.007007007);(339.0,0.002002002);(340.0,0.001001001);(352.0,0.003003003);(353.0,0.001001001);(425.0,0.002002002);(426.0,0.012012012);(427.0,0.007007007);(428.0,0.003003003);(429.0,0.001001001)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.006);(71.0,0.005);(72.0,0.018);(76.0,0.004);(77.0,0.009);(78.0,0.005);(82.0,0.002);(83.0,0.004);(85.0,0.007);(86.0,0.299);(87.0,0.029);(88.0,0.013);(89.0,0.005);(90.0,0.002);(91.0,0.01);(95.0,0.003);(97.0,0.002);(99.0,0.004);(100.0,0.126);(101.0,0.02);(102.0,0.022);(103.0,0.014);(104.0,0.017);(105.0,0.012);(106.0,0.001);(107.0,0.002);(113.0,0.004);(114.0,0.003);(115.0,0.011);(116.0,0.013);(117.0,0.031);(118.0,0.007);(119.0,0.017);(120.0,0.002);(121.0,0.002);(129.0,0.008);(130.0,0.037);(131.0,0.032);(132.0,0.009);(133.0,0.022);(134.0,0.004);(135.0,0.005);(136.0,0.001);(137.0,0.002);(143.0,0.002);(144.0,0.009);(145.0,0.007);(146.0,0.006);(150.0,0.003);(151.0,0.003);(158.0,0.009);(159.0,0.004);(160.0,0.002);(161.0,0.004);(162.0,0.003);(163.0,0.004);(164.0,0.001);(165.0,0.001);(172.0,0.009);(173.0,0.003);(174.0,1.0);(175.0,0.212);(176.0,0.102);(177.0,0.019);(178.0,0.005);(179.0,0.069);(180.0,0.012);(181.0,0.006);(188.0,0.002);(189.0,0.002);(190.0,0.002);(191.0,0.003);(192.0,0.003);(193.0,0.011);(194.0,0.003);(195.0,0.003);(205.0,0.001);(207.0,0.004);(208.0,0.001);(209.0,0.006);(210.0,0.002);(213.0,0.001);(218.0,0.002);(219.0,0.002);(220.0,0.003);(221.0,0.004);(222.0,0.001);(223.0,0.003);(233.0,0.002);(234.0,0.002);(235.0,0.001);(236.0,0.001);(237.0,0.016);(238.0,0.004);(239.0,0.002);(248.0,0.009);(249.0,0.004);(250.0,0.01);(251.0,0.004);(252.0,0.003);(253.0,0.001);(264.0,0.009);(265.0,0.01);(266.0,0.003);(267.0,0.013);(268.0,0.005);(269.0,0.001);(279.0,0.001);(280.0,0.001);(281.0,0.002);(338.0,0.012);(339.0,0.005);(340.0,0.002);(352.0,0.007);(353.0,0.002);(354.0,0.001);(425.0,0.002);(426.0,0.03);(427.0,0.013);(428.0,0.007);(429.0,0.003)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,0.4004);(86.0,22.422422);(87.0,2.302302);(88.0,0.900901);(89.0,0.3003);(90.0,0.1001);(91.0,0.700701);(95.0,0.1001);(97.0,0.1001);(99.0,0.3003);(100.0,9.60961);(101.0,1.601602);(102.0,3.003003);(103.0,1.101101);(104.0,1.401401);(105.0,0.800801);(106.0,0.1001);(107.0,0.1001);(109.0,0.1001);(113.0,0.2002);(114.0,0.2002);(115.0,0.700701);(116.0,0.900901);(117.0,1.801802);(118.0,0.4004);(119.0,1.201201);(120.0,0.1001);(121.0,0.1001);(128.0,0.1001);(129.0,0.2002);(130.0,2.902903);(131.0,2.502503);(132.0,0.600601);(133.0,1.601602);(134.0,0.2002);(135.0,0.3003);(136.0,0.1001);(137.0,0.1001);(143.0,0.1001);(144.0,0.600601);(145.0,0.4004);(146.0,0.800801);(147.0,2.202202);(148.0,0.4004);(149.0,1.301301);(150.0,0.2002);(151.0,0.2002);(158.0,0.800801);(159.0,0.3003);(160.0,0.2002);(161.0,0.3003);(162.0,0.2002);(163.0,0.3003);(164.0,0.1001);(165.0,0.1001);(172.0,0.900901);(173.0,0.3003);(174.0,100.0);(175.0,17.417417);(176.0,7.707708);(177.0,1.401401);(178.0,0.3003);(179.0,6.106106);(180.0,1.001001);(181.0,0.4004);(189.0,0.1001);(190.0,0.1001);(191.0,0.1001);(192.0,0.2002);(193.0,0.900901);(194.0,0.2002);(195.0,0.2002);(205.0,0.1001);(207.0,0.2002);(209.0,0.4004);(210.0,0.1001);(218.0,0.1001);(219.0,0.1001);(220.0,0.2002);(221.0,0.2002);(222.0,0.1001);(223.0,0.2002);(233.0,0.1001);(234.0,0.1001);(235.0,0.1001);(237.0,1.101101);(238.0,0.3003);(239.0,0.1001);(248.0,0.500501);(249.0,0.2002);(250.0,0.600601);(251.0,0.3003);(252.0,0.2002);(264.0,0.600601);(265.0,0.600601);(266.0,0.2002);(267.0,0.900901);(268.0,0.4004);(269.0,0.1001);(280.0,0.1001);(338.0,0.700701);(339.0,0.2002);(340.0,0.1001);(352.0,0.3003);(353.0,0.1001);(425.0,0.2002);(426.0,1.201201);(427.0,0.700701);(428.0,0.3003);(429.0,0.1001)
GC-MS	GC-MS	Not Available	Not Available	View Spectrum	(70.0,0.006);(71.0,0.005);(72.0,0.018);(76.0,0.004);(77.0,0.009);(78.0,0.005);(82.0,0.002);(83.0,0.004);(85.0,0.007);(86.0,0.299);(87.0,0.029);(88.0,0.013);(89.0,0.005);(90.0,0.002);(91.0,0.01);(95.0,0.003);(97.0,0.002);(99.0,0.004);(100.0,0.126);(101.0,0.02);(102.0,0.022);(103.0,0.014);(104.0,0.017);(105.0,0.012);(106.0,0.001);(107.0,0.002);(113.0,0.004);(114.0,0.003);(115.0,0.011);(116.0,0.013);(117.0,0.031);(118.0,0.007);(119.0,0.017);(120.0,0.002);(121.0,0.002);(129.0,0.008);(130.0,0.037);(131.0,0.032);(132.0,0.009);(133.0,0.022);(134.0,0.004);(135.0,0.005);(136.0,0.001);(137.0,0.002);(143.0,0.002);(144.0,0.009);(145.0,0.007);(146.0,0.006);(150.0,0.003);(151.0,0.003);(158.0,0.009);(159.0,0.004);(160.0,0.002);(161.0,0.004);(162.0,0.003);(163.0,0.004);(164.0,0.001);(165.0,0.001);(172.0,0.009);(173.0,0.003);(174.0,1.0);(175.0,0.212);(176.0,0.102);(177.0,0.019);(178.0,0.005);(179.0,0.069);(180.0,0.012);(181.0,0.006);(188.0,0.002);(189.0,0.002);(190.0,0.002);(191.0,0.003);(192.0,0.003);(193.0,0.011);(194.0,0.003);(195.0,0.003);(205.0,0.001);(207.0,0.004);(208.0,0.001);(209.0,0.006);(210.0,0.002);(213.0,0.001);(218.0,0.002);(219.0,0.002);(220.0,0.003);(221.0,0.004);(222.0,0.001);(223.0,0.003);(233.0,0.002);(234.0,0.002);(235.0,0.001);(236.0,0.001);(237.0,0.016);(238.0,0.004);(239.0,0.002);(248.0,0.009);(249.0,0.004);(250.0,0.01);(251.0,0.004);(252.0,0.003);(253.0,0.001);(264.0,0.009);(265.0,0.01);(266.0,0.003);(267.0,0.013);(268.0,0.005);(269.0,0.001);(279.0,0.001);(280.0,0.001);(281.0,0.002);(338.0,0.012);(339.0,0.005);(340.0,0.002);(352.0,0.007);(353.0,0.002);(354.0,0.001);(425.0,0.002);(426.0,0.03);(427.0,0.013);(428.0,0.007);(429.0,0.003)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(26.00252462,1.024841935);(28.01817382,5.460894727);(30.03382302,31.84107798);(31.04164762,1.255380534);(32.04947222,1.215106947);(44.04947222,0.9813237354);(80.04947222,1.435028777);(81.03348852,1.183687925);(82.06512142,1.997641092);(93.03348852,0.9623079464);(95.04913772,1.77879263);(108.020578,1.35714549);(109.0284026,4.414371873);(109.0522109,0.9582278495);(110.0362272,3.275057438);(111.0440518,1.181234105);(112.0518764,1.0204584);(122.0362272,2.672735421);(122.0600355,0.9447107285);(123.0440518,8.270368433);(123.0678601,1.325274904);(124.0518764,2.657528487);(124.0756847,1.263837554);(125.059701,2.401339208);(125.0835093,1.198560064);(135.0678601,1.4322678);(136.0518764,1.802931922);(137.059701,4.113578173);(138.0549496,1.141798065);(152.0705988,2.17707883);(153.0784234,7.255411023)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(28.01817382,1.11818608);(30.03382302,12.41708932);(59.03115062,0.7061943594);(73.04679982,10.1428604);(74.04796012,0.8678863899);(75.02606472,1.642890453);(80.04947222,0.8763892272);(82.06512142,0.8967578378);(96.08077062,2.035780405);(115.0573631,1.114962912);(184.1152085,1.22041814);(194.0995593,0.6758680697);(195.0835756,1.357360507);(195.1073839,1.015011627);(196.1152085,3.251045084);(210.0944734,3.58101317);(223.102298,0.7969022381);(224.1101226,3.605000273);(225.1123366,0.6521230854);(225.1179472,1.895719397);(226.1257718,1.533268338);(239.091801,0.9816968637);(253.1074502,1.015219166);(266.1152748,0.6742409877);(267.1230994,2.046026141);(268.130924,0.6418806684);(281.1261726,0.7951414587);(281.1387486,0.7679274779);(282.1339972,6.270345327);(283.1358001,1.597786185);(297.157471,0.7477849408)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(26.00252462,0.7219745824);(28.01817382,2.613510214);(29.02599842,0.5839004722);(30.03382302,29.30290111);(31.04164762,0.9962234514);(32.04947222,0.9906033304);(44.04947222,0.5822311273);(80.04947222,1.010333128);(82.06512142,1.107931688);(108.020578,0.805210676);(109.0284026,2.824742032);(110.0362272,1.943130809);(111.0440518,0.7008403441);(112.0518764,0.6054501926);(113.059701,0.547077911);(122.0362272,1.541523902);(122.0600355,0.5605081917);(123.0440518,12.24030511);(123.0678601,0.786301476);(124.0474536,0.9811508018);(124.0518764,1.9212118);(124.0756847,0.7498499601);(125.059701,1.561895224);(125.0835093,0.7111200432);(135.0678601,0.8497816429);(136.0518764,1.069701106);(137.059701,2.440635206);(138.0549496,0.6774424693);(151.0627742,0.677330949);(152.0705988,2.709569897);(153.0784234,3.922169272)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(28.01817382,1.438815983);(30.03382302,14.31583473);(57.01550142,0.6356117117);(59.03115062,0.6588360813);(71.03115062,0.820586427);(73.04679982,8.920992876);(74.04796012,0.763335785);(75.06244902,0.8279826623);(80.04947222,1.114850821);(82.06512142,1.300603675);(96.08077062,0.6431546027);(123.0440518,2.313453637);(124.0756847,0.9079793837);(151.0627742,0.782636294);(152.0705988,3.143811503);(153.0784234,2.45047941);(154.086248,1.743582748);(167.0522772,1.446822832);(167.0886615,0.8512807836);(179.0522772,0.7943112892);(181.0679264,2.215348478);(182.0995593,0.7198683026);(195.0835756,3.499697494);(196.1152085,0.6259369268);(197.0992248,0.8513763554);(209.0866488,0.6703467595);(209.0992248,1.295095072);(210.0944734,4.284579525);(211.0966048,0.7258081333);(224.1101226,0.8909426238);(225.1179472,1.745421897)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,1.078339068);(28.01817382,1.446031293);(30.03382302,14.38251293);(57.01550142,0.6375114113);(59.03115062,0.6590803077);(71.03115062,0.8247014672);(73.04679982,8.965960148);(74.04796012,0.7671834652);(75.06244902,0.8321347929);(80.04947222,1.158390181);(82.06512142,1.352275829);(96.08077062,0.6441567061);(123.0440518,2.123887328);(124.0756847,0.9099768029);(151.0627742,0.7865610236);(152.0705988,3.15725008);(153.0784234,2.463338423);(154.086248,1.750697181);(167.0522772,1.108272891);(167.0886615,0.7242165608);(179.0522772,0.796442814);(181.0679264,2.224920216);(182.0995593,0.7201351533);(195.0835756,3.116630948);(197.0992248,0.8556457996);(209.0866488,0.6737083846);(209.0992248,1.301589658);(210.0944734,4.763659791);(211.0966048,0.8069643707);(224.1101226,0.8954104832);(225.1179472,1.76096864)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(28.01817382,0.8518728701);(30.03382302,2.931258159);(57.01550142,0.8757140944);(59.03115062,1.664031293);(71.03115062,2.523093901);(73.04679982,13.70896762);(74.04204842,0.9397335817);(74.04796012,1.173024763);(74.05462442,1.561460904);(75.06244902,2.321589679);(86.04204842,0.9214405058);(88.05769762,1.839858839);(100.0576976,1.722611417);(102.0733468,13.87251127);(103.0746232,1.399551708);(109.0284026,2.386649135);(110.0362272,1.195878235);(122.0362272,0.792147946);(123.0440518,6.227717828);(124.0518764,1.377576694);(125.059701,0.9313726859);(136.0518764,0.9136235947);(137.059701,2.252338338);(152.0705988,2.393489296);(152.088996,0.9012917303);(154.086248,0.7261889895);(154.1046452,1.004403326);(182.0995593,0.9253492386);(210.0944734,3.820095144);(224.1101226,0.815704091);(225.1179472,1.491759855)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(30.03382302,1.53992944);(59.03115062,2.087286169);(71.03115062,1.99077605);(73.04679982,15.63205558);(74.04796012,1.337576162);(74.05462442,1.217067811);(75.02606472,0.7495412011);(75.06244902,1.831784829);(88.05769762,1.58347639);(100.0576976,1.283508334);(102.0733468,9.113404134);(103.0746232,0.9194211542);(167.0522772,0.9714897554);(168.1202944,0.65054628);(181.0679264,2.588397203);(182.075751,0.8390427307);(195.0835756,4.489816415);(196.0858164,0.7433950447);(196.1152085,0.8726973469);(197.0992248,0.6532740798);(209.0992248,1.677655091);(210.0944734,1.901144044);(223.102298,0.6828679182);(224.1101226,3.019366053);(225.1179472,1.870737508);(226.1257718,1.260684876);(254.1390831,1.528929038);(281.1261726,0.8594851279);(282.1339972,6.466707485);(283.1358001,1.647822463);(297.157471,0.8645257535)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(30.03382302,1.550532971);(59.03115062,2.154839447);(71.03115062,2.005846546);(73.04679982,15.7894834);(74.04204842,0.7078709565);(74.04796012,1.351046668);(74.05462442,1.226726726);(75.02606472,0.7317103187);(75.06244902,1.845651736);(88.05769762,0.9562393674);(100.0576976,1.293224699);(102.0733468,9.185431802);(103.0746232,0.926687787);(154.1046452,0.7032408313);(167.0522772,0.7077547658);(181.0679264,2.585505039);(182.075751,0.8453944196);(195.0835756,4.572616839);(196.0858164,0.7571046086);(196.1152085,0.8591498712);(209.0992248,1.7298707);(210.0944734,1.955288102);(223.102298,0.6880373386);(224.1101226,3.042223141);(225.1179472,1.885381415);(226.1257718,1.270228464);(254.1390831,1.571649113);(281.1261726,0.8659915691);(282.1339972,6.812488419);(283.1358001,1.735933081);(297.157471,0.8764725175)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.03115062,1.457351674);(71.03115062,2.523186812);(72.03897522,0.7977733582);(73.04679982,18.5744293);(74.04796012,1.589344008);(74.05462442,1.223665585);(75.06244902,1.594989242);(102.0733468,2.181883261);(109.0284026,1.93446113);(110.0362272,1.154096223);(122.0362272,1.116565933);(123.0440518,8.763824331);(124.0518764,1.251682807);(125.059701,0.9097341573);(136.0518764,1.181892012);(137.059701,3.369075185);(146.0815722,1.329134169);(160.0972214,3.010998904);(161.105046,1.116333948);(162.1128706,0.8099712604);(174.1128706,10.56735976);(175.1140897,1.968729781);(176.1107791,0.8619610907);(224.1101226,2.54089343);(225.1179472,0.9830312074);(226.1257718,0.8440303426);(254.1390831,0.9894144206);(282.1339972,3.801088879);(283.1358001,0.9685793974);(297.157471,1.243857892)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(28.01817382,0.7038296534);(30.03382302,6.464432479);(32.04947222,1.448376249);(41.03857442,0.7014100029);(55.05422362,1.030225875);(57.06987282,2.15685744);(59.03115062,1.061460758);(59.08552202,0.7353325526);(115.0937474,0.8128737352);(123.0440518,0.6685646647);(151.0627742,0.6435311908);(152.0705988,3.006141068);(153.0784234,3.423325065);(154.086248,3.363059463);(167.0522772,1.003295644);(179.0522772,0.9708400908);(181.0679264,2.310691155);(196.0788242,2.236261871);(209.0866488,0.7257125558);(210.0944734,32.22482742);(211.0966048,5.458888484);(211.102298,1.679443337);(212.0938615,1.615306263);(212.1101226,2.139859754);(237.1305232,0.9492117731);(252.141421,2.843805567)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(28.01817382,0.7076975234);(30.03382302,6.756166119);(32.04947222,1.202833663);(41.03857442,0.7050077504);(55.05422362,1.035967129);(57.06987282,2.168877197);(59.03115062,1.051117954);(59.08552202,0.7393735458);(115.0937474,0.8176010504);(123.0440518,0.6719939384);(152.0705988,3.022464428);(153.0784234,3.424919622);(154.086248,3.322651217);(167.0522772,1.008441855);(179.0522772,0.975819828);(181.0679264,2.288789571);(196.0788242,2.22856092);(209.0866488,0.7299899893);(210.0944734,32.40180779);(211.0966048,5.488868975);(211.102298,1.622863924);(212.0938615,1.624177606);(212.1101226,2.15238022);(237.1305232,0.955273735);(252.141421,2.999874108)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(30.03382302,2.098542474);(55.05422362,1.070908827);(56.06204822,0.7475083822);(57.01550142,0.8585036332);(57.06987282,2.487931988);(59.03115062,3.345299464);(59.08552202,0.7431756645);(74.04204842,1.795561188);(86.04204842,2.690063154);(88.05769762,6.171494329);(109.0284026,1.660921727);(110.0362272,0.6866963207);(115.0937474,1.593892139);(123.0440518,4.342130052);(124.0518764,0.7910310764);(125.059701,1.144777288);(136.0518764,0.9156422663);(137.059701,3.148515571);(144.1202944,3.167375336);(152.0705988,3.356550045);(153.0784234,0.7499269728);(154.086248,1.586356485);(182.0995593,1.234678291);(196.0788242,1.395453026);(209.0866488,0.697248568);(210.0944734,5.203328466);(211.0966048,0.8814442813);(211.102298,1.18903464);(212.1101226,3.137751632);(251.1335964,0.7137086752);(252.141421,2.665738796)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(30.03382302,5.764891019);(55.05422362,1.170604816);(57.06987282,2.087050786);(75.02606472,0.9360545137);(80.04947222,1.121404104);(96.08077062,1.054644192);(115.0937474,1.672077242);(131.0886615,0.6920430626);(210.0944734,4.775507696);(211.0966048,0.8089714069);(236.1465069,0.7107048777);(238.1621561,1.590502296);(250.1621561,0.7181455249);(266.1026988,2.187800991);(266.1570702,2.411680621);(268.118348,7.543013422);(268.1727194,2.047413516);(269.1200739,1.835383651);(270.1173694,0.7360861985);(270.1339972,2.662820314);(271.1357287,0.6487226267);(295.1543978,1.62506071);(310.1652956,2.434985655);(311.1672333,0.6764492944);(324.1809448,3.636907154);(325.1829418,1.052150632);(325.1887694,0.9285488088);(326.196594,1.686576038);(365.2200678,0.6804204467);(366.2278924,2.296872595);(367.2300422,0.7436815656)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(55.05422362,1.617201663);(57.06987282,2.969092294);(59.03115062,1.075598095);(59.08552202,1.052471761);(74.04204842,0.8153126236);(86.04204842,1.04094947);(88.05769762,2.925325275);(115.0937474,2.791838555);(144.1202944,1.590151223);(167.0522772,0.774197282);(181.0679264,0.8056483738);(193.0679264,0.8433837423);(210.0944734,3.829572643);(223.114874,0.8101739123);(237.1305232,2.017159756);(251.1461724,1.403435931);(266.1026988,2.520534408);(266.1570702,2.117989709);(268.118348,8.380783006);(268.1727194,1.231993945);(269.1200739,2.039231704);(270.1173694,0.8178400803);(270.1339972,2.389550484);(296.1860307,0.995216759);(310.1652956,2.25731951);(324.1809448,4.541645955);(325.1829418,1.313889924);(325.1887694,0.9928901776);(326.196594,1.631925818);(366.2278924,2.411863694);(367.2300422,0.7809133916)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(55.05422362,1.645024246);(57.06987282,3.010420529);(59.03115062,1.104981382);(59.08552202,1.071671662);(74.04204842,0.8360220528);(86.04204842,1.052636385);(88.05769762,2.50661054);(115.0937474,2.82366205);(144.1202944,1.598362945);(167.0522772,0.7912911154);(181.0679264,0.8225355703);(193.0679264,0.8600310473);(210.0944734,3.90327617);(223.114874,0.8225677257);(237.1305232,2.04144327);(251.1461724,1.42733357);(266.1026988,2.573625909);(266.1570702,2.139223121);(268.118348,8.588478111);(268.1727194,1.243968401);(269.1200739,2.089768562);(270.1173694,0.8381080411);(270.1339972,2.400091935);(296.1860307,1.032613383);(310.1652956,2.267277628);(324.1809448,4.669741514);(325.1829418,1.350947736);(325.1887694,0.9982124866);(326.196594,1.639951898);(366.2278924,2.423468495);(367.2300422,0.7846707948)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(55.05422362,2.108815786);(56.06204822,1.020539949);(57.01550142,1.063203511);(57.06987282,5.665382858);(59.03115062,1.460376356);(59.08552202,1.009759371);(109.0284026,1.375263156);(115.0937474,6.536867021);(117.1093966,1.11299927);(123.0440518,4.895877428);(136.0518764,1.122050621);(137.059701,3.827992549);(144.1202944,1.107008509);(188.1285198,2.042889929);(200.1285198,0.9560422923);(202.144169,4.230310298);(203.1456311,0.8853651307);(210.0944734,2.288753336);(258.2067658,2.189485424);(266.1026988,1.568025369);(266.1570702,4.141575726);(267.1594792,0.8919957281);(268.118348,5.574795242);(268.1727194,1.07867427);(269.1200739,1.356472204);(270.1339972,1.771721392);(310.1652956,1.568899287);(324.1809448,3.693057451);(325.1829418,1.068394811);(326.196594,1.215674969);(366.2278924,1.720520409)
LC-MS/MS	Quattro_QQQ	Positive	low	View Spectrum	(91.106,80.734);(109.072,5.161);(119.034,66.972);(154.015,100.0)
LC-MS/MS	Quattro_QQQ	Positive	med	View Spectrum	(65.193,14.108);(91.091,100.0);(118.995,17.842);(136.891,7.676)
LC-MS/MS	Quattro_QQQ	Positive	high	View Spectrum	(41.366,8.503);(63.195,5.087);(65.186,100.0);(91.075,54.942);(118.948,3.87);(137.008,3.18)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(59.0,0.002002002);(59.9,0.001001001);(107.1,0.002002002);(108.3,0.007007007);(121.9,0.008008008);(122.5,0.001001001);(137.2,0.001001001);(151.2,0.001001001);(152.0,1.0)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(58.8,0.008008008);(60.2,0.003003003);(96.7,0.001001001);(107.6,0.003003003);(122.2,0.6556556557);(123.3,0.049049049);(136.9,0.006006006);(152.1,1.0)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(59.4,0.006006006);(79.3,0.002002002);(92.3,0.004004004);(92.9,0.015015015);(95.0,0.006006006);(121.3,0.008008008);(122.3,1.0);(122.9,0.0630630631);(134.8,0.002002002);(136.8,0.005005005);(152.1,0.1101101101)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(45.9,0.0870870871);(92.6,0.1621621622);(105.8,0.025025025);(121.1,0.2752752753);(122.2,1.0)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Negative	Not Available	View Spectrum	(93.4,1.0);(120.9,0.4664664665);(122.3,0.3333333333)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(50.3,0.013013013);(56.4,0.001001001);(62.2,0.001001001);(64.4,0.001001001);(68.2,0.003003003);(74.2,0.001001001);(77.3,0.001001001);(81.0,0.001001001);(82.2,0.003003003);(83.9,0.001001001);(91.0,0.006006006);(93.2,0.001001001);(93.8,0.001001001);(99.9,0.001001001);(103.7,0.001001001);(104.5,0.001001001);(107.0,0.002002002);(109.1,0.001001001);(112.9,0.001001001);(118.3,0.001001001);(119.1,0.025025025);(120.2,0.001001001);(122.2,0.004004004);(136.0,0.004004004);(137.2,1.0);(154.2,0.7437437437);(161.4,0.001001001);(172.0,0.001001001)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(38.9,0.002002002);(44.7,0.001001001);(49.9,0.001001001);(59.4,0.001001001);(61.2,0.001001001);(64.9,0.001001001);(68.3,0.001001001);(69.0,0.001001001);(70.6,0.001001001);(71.8,0.001001001);(72.7,0.002002002);(74.0,0.001001001);(74.9,0.001001001);(77.1,0.001001001);(79.0,0.001001001);(80.8,0.004004004);(89.2,0.001001001);(90.2,0.001001001);(91.0,0.1821821822);(92.9,0.001001001);(94.3,0.001001001);(95.2,0.001001001);(98.0,0.003003003);(105.0,0.001001001);(105.7,0.001001001);(107.3,0.001001001);(109.3,0.018018018);(119.1,0.1941941942);(120.4,0.001001001);(121.3,0.001001001);(122.2,0.001001001);(135.9,0.002002002);(137.2,1.0);(154.1,0.004004004)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(38.8,0.002002002);(44.9,0.001001001);(54.9,0.001001001);(59.1,0.001001001);(65.2,0.022022022);(67.1,0.001001001);(69.1,0.001001001);(72.6,0.001001001);(73.3,0.001001001);(73.8,0.001001001);(76.9,0.001001001);(79.3,0.014014014);(81.2,0.02002002);(91.0,1.0);(93.2,0.001001001);(94.3,0.006006006);(98.2,0.001001001);(105.0,0.001001001);(107.1,0.005005005);(109.2,0.02002002);(110.2,0.001001001);(119.1,0.2472472472);(120.8,0.001001001);(134.8,0.001001001);(135.9,0.001001001);(137.2,0.1081081081)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(39.0,0.002002002);(40.9,0.003003003);(42.9,0.001001001);(45.1,0.001001001);(45.8,0.001001001);(51.3,0.001001001);(53.1,0.002002002);(55.2,0.002002002);(62.8,0.005005005);(65.1,0.2752752753);(66.9,0.001001001);(68.8,0.001001001);(75.0,0.001001001);(77.0,0.006006006);(79.3,0.016016016);(81.0,0.008008008);(83.3,0.001001001);(89.8,0.001001001);(91.0,1.0);(93.2,0.001001001);(94.1,0.008008008);(96.7,0.001001001);(99.9,0.001001001);(107.1,0.003003003);(108.3,0.001001001);(109.0,0.003003003);(110.4,0.002002002);(119.4,0.033033033);(120.8,0.001001001);(137.0,0.003003003)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(39.2,0.017017017);(41.1,0.026026026);(42.8,0.005005005);(44.3,0.002002002);(50.9,0.013013013);(53.1,0.006006006);(55.3,0.004004004);(62.9,0.0570570571);(65.1,1.0);(74.9,0.003003003);(77.0,0.026026026);(79.1,0.017017017);(89.4,0.009009009);(91.0,0.6926926927);(94.2,0.008008008);(107.4,0.005005005);(109.2,0.002002002);(119.3,0.007007007)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(50.0,0.014014014);(63.8,0.001001001);(65.1,0.001001001);(67.9,0.003003003);(73.8,0.001001001);(76.1,0.001001001);(76.8,0.001001001);(80.9,0.001001001);(81.9,0.005005005);(89.9,0.001001001);(91.0,0.006006006);(91.9,0.002002002);(93.8,0.001001001);(94.2,0.001001001);(95.0,0.001001001);(97.7,0.001001001);(101.1,0.001001001);(101.4,0.001001001);(104.3,0.001001001);(105.2,0.001001001);(106.9,0.002002002);(109.0,0.001001001);(117.8,0.002002002);(119.3,0.024024024);(122.2,0.003003003);(136.0,0.008008008);(137.1,1.0);(154.2,0.7737737738);(171.8,0.001001001)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(44.7,0.001001001);(50.0,0.001001001);(57.4,0.001001001);(61.3,0.001001001);(62.7,0.001001001);(65.2,0.001001001);(68.8,0.001001001);(72.8,0.002002002);(74.0,0.001001001);(75.2,0.001001001);(77.0,0.001001001);(79.3,0.001001001);(80.9,0.004004004);(86.8,0.001001001);(89.8,0.001001001);(91.1,0.1771771772);(93.8,0.001001001);(97.6,0.003003003);(100.7,0.001001001);(105.1,0.002002002);(106.9,0.001001001);(109.1,0.02002002);(118.0,0.001001001);(119.1,0.1901901902);(136.1,0.002002002);(137.2,1.0);(154.0,0.004004004)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(40.7,0.001001001);(45.0,0.001001001);(46.6,0.001001001);(62.7,0.001001001);(65.2,0.02002002);(66.8,0.001001001);(69.1,0.001001001);(70.9,0.001001001);(74.0,0.001001001);(75.3,0.001001001);(77.1,0.001001001);(79.2,0.012012012);(81.3,0.02002002);(91.0,1.0);(93.0,0.001001001);(94.2,0.005005005);(97.4,0.001001001);(105.3,0.001001001);(107.2,0.004004004);(108.9,0.022022022);(117.4,0.001001001);(119.1,0.2552552553);(127.1,0.001001001);(135.9,0.002002002);(137.2,0.1151151151)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(40.9,0.004004004);(53.3,0.002002002);(55.1,0.001001001);(57.5,0.001001001);(62.9,0.005005005);(65.2,0.2742742743);(66.9,0.001001001);(69.1,0.002002002);(71.9,0.001001001);(73.3,0.001001001);(76.9,0.007007007);(78.8,0.017017017);(81.1,0.008008008);(89.4,0.002002002);(90.4,0.003003003);(91.0,1.0);(92.9,0.001001001);(94.1,0.009009009);(95.3,0.001001001);(107.3,0.003003003);(109.0,0.004004004);(110.1,0.002002002);(118.1,0.001001001);(119.1,0.029029029);(120.3,0.001001001);(135.7,0.001001001);(137.0,0.004004004)
LC-MS/MS	LC-ESI-QQ (API3000, Applied Biosystems)	Positive	Not Available	View Spectrum	(38.9,0.012012012);(41.1,0.023023023);(51.2,0.012012012);(53.1,0.004004004);(55.3,0.005005005);(63.1,0.0540540541);(65.2,1.0);(66.9,0.003003003);(75.0,0.002002002);(76.9,0.021021021);(79.1,0.014014014);(81.0,0.005005005);(89.1,0.011011011);(91.1,0.6546546547);(94.3,0.007007007);(107.0,0.005005005);(119.1,0.005005005)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(108.0215,0.183713);(122.0374,30.220486);(123.0451,3.104099);(124.0165,1.120048);(136.0164,0.227552);(137.0243,2.162282);(152.0716,100.0)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(108.0216,0.244535);(122.0374,31.412607);(123.0452,3.011571);(124.0165,1.077931);(136.0162,0.191818);(137.0244,1.847113);(152.0716,100.0)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(108.0217,0.624623);(121.0295,0.167785);(122.0374,100.0);(123.0451,8.153082);(124.0165,3.171959);(136.0165,0.761064);(137.0244,5.819525);(152.0716,96.230834)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(95.0503,0.191618);(108.0217,0.602881);(121.0299,0.267374);(122.0374,100.0);(123.0451,6.552474);(124.0165,3.294527);(136.0166,0.776776);(137.0244,6.652496);(152.0717,29.691971)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(93.0346,0.498174);(95.0503,0.61893);(108.0217,0.771722);(121.0296,1.167046);(122.0374,100.0);(123.0452,6.238887);(124.0165,2.978839);(135.0452,0.55057);(136.0166,0.950937);(137.0244,5.824227);(152.0717,11.581945)
LC-MS/MS	LC-ESI-QFT	negative	Not Available	View Spectrum	(81.0346,0.385764);(93.0346,2.967606);(95.0503,1.21493);(108.0218,1.765146);(121.0295,6.510482);(122.0374,100.0);(123.0452,7.638257);(124.0165,3.658493);(135.0452,2.215912);(136.0165,1.028107);(137.0243,6.473538);(152.0716,5.077678)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(59.0,0.235773);(59.9,0.042868);(107.1,0.24649);(108.3,0.664452);(121.9,0.760905);(122.5,0.096453);(137.2,0.085736);(151.2,0.117887);(152.0,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(58.8,0.823949);(60.2,0.27465);(96.7,0.137325);(107.6,0.302115);(122.2,65.586377);(123.3,4.861302);(136.9,0.60423);(152.1,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(59.4,0.610221);(79.3,0.228833);(92.3,0.381388);(92.9,1.525553);(95.0,0.610221);(121.3,0.839054);(122.3,100.0);(122.9,6.331045);(134.8,0.152555);(136.8,0.533944);(152.1,10.983982)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(45.9,8.75);(92.6,16.25);(105.8,2.5);(121.1,27.5);(122.2,100.0)
LC-MS/MS	LC-ESI-QQ	negative	Not Available	View Spectrum	(93.4,100.0);(120.9,46.666667);(122.3,33.333333)
LC-MS/MS	Linear Ion Trap	negative	Not Available	View Spectrum	(121.92044,100.0);(122.910052,25.38854);(123.895237,0.5128);(151.981524,7.02282)
LC-MS/MS	Not Available	negative	Not Available	View Spectrum	(70.075005,0.064981);(72.539757,0.106326);(80.026535,0.05241);(81.032967,0.24606);(85.027985,0.383802);(95.012459,0.321415);(101.725471,0.049202);(108.020294,2.359331);(109.028168,12.441869);(121.027931,0.111408);(122.036079,23.495346);(123.007553,0.369195);(123.044815,2.366317);(124.015312,0.946239);(134.282578,0.055928);(136.015396,1.077935);(137.023438,1.675096);(151.004333,0.27611);(151.038879,0.316415);(151.058731,1.075473);(151.071655,0.07196);(151.075546,0.072779);(151.996643,0.700793);(152.036133,2.212177);(152.070694,100.0);(153.018295,7.548397);(153.074005,3.820971);(154.026047,0.868818)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(91.0542,4.930393);(109.0647,0.515122);(119.0491,4.894693);(137.0597,100.0);(154.0862,1.154828)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(91.0542,5.57212);(109.0648,0.542434);(119.0491,4.752408);(137.0597,100.0);(154.0862,1.440272)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(65.0384,0.493194);(79.0542,0.124929);(81.0698,0.517658);(91.0542,24.017673);(109.0647,2.085463);(119.0491,21.711374);(137.0597,100.0);(154.0863,0.137516)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(65.0385,2.824087);(79.0542,0.886142);(81.0699,2.318567);(89.0382,0.173463);(91.0542,100.0);(94.0413,0.318241);(107.0492,0.366331);(109.0647,4.565882);(119.0491,55.601578);(137.0597,78.585715)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(65.0386,6.737295);(79.0542,1.262931);(81.0699,2.188346);(89.0384,0.109988);(91.0542,100.0);(94.0413,0.427593);(107.0492,0.291431);(109.0648,2.112693);(119.0491,25.68422);(137.0597,15.296962)
LC-MS/MS	LC-ESI-QFT	positive	Not Available	View Spectrum	(63.0228,0.339999);(65.0386,18.280499);(79.0542,1.283641);(81.0699,1.278326);(89.0385,0.226655);(91.0542,100.0);(94.0412,0.638736);(95.049,0.228332);(107.0491,0.277742);(109.0648,0.752598);(119.0491,10.5169);(137.0597,3.289519)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(137.059,100.0);(154.085,95.35457)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(91.054,14.92033);(109.063,1.37922);(119.048,16.92793);(137.059,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(65.039,6.07065);(79.055,1.27733);(81.07,2.06632);(91.054,100.0);(94.041,0.50078);(109.065,2.02897);(119.048,27.40791);(137.059,13.76428)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(41.04,0.67041);(53.04,0.57918);(63.024,1.18738);(65.039,49.75257);(77.038,0.56259);(79.054,1.78038);(81.07,0.90678);(91.054,100.0);(94.042,1.01598);(119.048,3.53036);(137.056,0.47689)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(39.023,3.35044);(41.039,2.27028);(51.024,3.33966);(53.041,1.2203);(55.02,0.63387);(63.023,5.29085);(64.028,0.22638);(65.039,100.0);(66.046,0.89043);(75.023,0.41395);(77.039,1.29361);(79.054,1.20305);(89.036,0.97452);(91.054,46.34988);(94.042,0.79772);(110.036,0.43551)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(50.3,1.260693);(56.4,0.030017);(62.2,0.015008);(64.4,0.015008);(68.2,0.337686);(74.2,0.01876);(77.3,0.060033);(81.0,0.030017);(82.2,0.330182);(83.9,0.022512);(91.0,0.551553);(93.2,0.026264);(93.8,0.112562);(99.9,0.030017);(103.7,0.033769);(104.5,0.045025);(107.0,0.187603);(109.1,0.112562);(112.9,0.037521);(118.3,0.056281);(119.1,2.47261);(120.2,0.033769);(122.2,0.38271);(136.0,0.38271);(137.2,100.0);(154.2,74.328381);(161.4,0.011256);(172.0,0.037521)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(38.9,0.212776);(44.7,0.049799);(49.9,0.122233);(59.4,0.03169);(61.2,0.013581);(64.9,0.076961);(68.3,0.018109);(69.0,0.022636);(70.6,0.018109);(71.8,0.036217);(72.7,0.176558);(74.0,0.054326);(74.9,0.081489);(77.1,0.022636);(79.0,0.058853);(80.8,0.371225);(89.2,0.03169);(90.2,0.03169);(91.0,18.199104);(92.9,0.027163);(94.3,0.090543);(95.2,0.058853);(98.0,0.258047);(105.0,0.081489);(105.7,0.013581);(107.3,0.067907);(109.3,1.75653);(119.1,19.462176);(120.4,0.022636);(121.3,0.018109);(122.2,0.058853);(135.9,0.153923);(137.2,100.0);(154.1,0.357644)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(38.8,0.177875);(44.9,0.131972);(54.9,0.063117);(59.1,0.034427);(65.2,2.23204);(67.1,0.045903);(69.1,0.103282);(72.6,0.028689);(73.3,0.028689);(73.8,0.028689);(76.9,0.120496);(79.3,1.365619);(81.2,2.008263);(91.0,100.0);(93.2,0.10902);(94.3,0.550838);(98.2,0.045903);(105.0,0.097544);(107.1,0.504935);(109.2,2.036952);(110.2,0.040165);(119.1,24.741795);(120.8,0.022952);(134.8,0.040165);(135.9,0.10902);(137.2,10.781501)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(39.0,0.17955);(40.9,0.31185);(42.9,0.1323);(45.1,0.08505);(45.8,0.0189);(51.3,0.08505);(53.1,0.1512);(55.2,0.2268);(62.8,0.500851);(65.1,27.565678);(66.9,0.08505);(68.8,0.12285);(75.0,0.0756);(77.0,0.642601);(79.3,1.559252);(81.0,0.841051);(83.3,0.0756);(89.8,0.12285);(91.0,100.0);(93.2,0.08505);(94.1,0.803251);(96.7,0.0189);(99.9,0.04725);(107.1,0.33075);(108.3,0.04725);(109.0,0.3402);(110.4,0.16065);(119.4,3.260253);(120.8,0.0567);(137.0,0.34965)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(39.2,1.74351);(41.1,2.557148);(42.8,0.464936);(44.3,0.154979);(50.9,1.317319);(53.1,0.619915);(55.3,0.387447);(62.9,5.695467);(65.1,100.0);(74.9,0.348702);(77.0,2.557148);(79.1,1.666021);(89.4,0.852383);(91.0,69.275475);(94.2,0.813638);(107.4,0.464936);(109.2,0.193723);(119.3,0.697404)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(50.0,1.387185);(63.8,0.037347);(65.1,0.101371);(67.9,0.272102);(73.8,0.016006);(76.1,0.08003);(76.8,0.090701);(80.9,0.026677);(81.9,0.485515);(89.9,0.026677);(91.0,0.554874);(91.9,0.186736);(93.8,0.069359);(94.2,0.133383);(95.0,0.08003);(97.7,0.032012);(101.1,0.069359);(101.4,0.037347);(104.3,0.032012);(105.2,0.058689);(106.9,0.213413);(109.0,0.106707);(117.8,0.17073);(119.3,2.368884);(122.2,0.277437);(136.0,0.837646);(137.1,100.0);(154.2,77.346209);(171.8,0.042683)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(44.7,0.05321);(50.0,0.112333);(57.4,0.023649);(61.3,0.035474);(62.7,0.029561);(65.2,0.059123);(68.8,0.047298);(72.8,0.201017);(74.0,0.106421);(75.2,0.106421);(77.0,0.059123);(79.3,0.088684);(80.9,0.396122);(86.8,0.023649);(89.8,0.047298);(91.1,17.689488);(93.8,0.094596);(97.6,0.331087);(100.7,0.035474);(105.1,0.171456);(106.9,0.05321);(109.1,2.010169);(118.0,0.035474);(119.1,19.055221);(136.1,0.212841);(137.2,100.0);(154.0,0.384297)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(40.7,0.030689);(45.0,0.1381);(46.6,0.023017);(62.7,0.030689);(65.2,2.002455);(66.8,0.038361);(69.1,0.06905);(70.9,0.084395);(74.0,0.061378);(75.3,0.030689);(77.1,0.107411);(79.2,1.227559);(81.3,2.025472);(91.0,100.0);(93.0,0.145773);(94.2,0.468007);(97.4,0.053706);(105.3,0.076722);(107.2,0.421973);(108.9,2.22495);(117.4,0.061378);(119.1,25.556238);(127.1,0.030689);(135.9,0.153445);(137.2,11.508363)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(40.9,0.373972);(53.3,0.199452);(55.1,0.137123);(57.5,0.037397);(62.9,0.498629);(65.2,27.412117);(66.9,0.099726);(69.1,0.211917);(71.9,0.024931);(73.3,0.037397);(76.9,0.685615);(78.8,1.670406);(81.1,0.797806);(89.4,0.236849);(90.4,0.324109);(91.0,100.0);(92.9,0.099726);(94.1,0.885066);(95.3,0.149589);(107.3,0.34904);(109.0,0.386437);(110.1,0.211917);(118.1,0.099726);(119.1,2.867115);(120.3,0.049863);(135.7,0.049863);(137.0,0.448766)
LC-MS/MS	LC-ESI-QQ	positive	Not Available	View Spectrum	(38.9,1.227295);(41.1,2.307315);(51.2,1.178203);(53.1,0.392734);(55.3,0.54001);(63.1,5.44919);(65.2,100.0);(66.9,0.294551);(75.0,0.245459);(76.9,2.061856);(79.1,1.37457);(81.0,0.54001);(89.1,1.08002);(91.1,65.439372);(94.3,0.736377);(107.0,0.490918);(119.1,0.54001)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(137.049438,100.0)
LC-MS/MS	Linear Ion Trap	positive	Not Available	View Spectrum	(136.99604,100.0)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(51.023693,0.04695);(51.553127,0.028358);(53.002903,0.035603);(55.054935,0.02915);(55.11673,0.027803);(65.039215,0.146991);(72.950394,0.067556);(77.026474,0.024112);(78.743324,0.025081);(81.070312,0.051382);(85.018929,0.026428);(89.02948,0.026539);(91.054596,3.833743);(92.057953,0.063434);(109.062378,0.024596);(109.064987,0.400686);(109.687531,0.030163);(111.044189,0.035639);(111.091873,0.20288);(114.09137,0.066978);(119.049164,3.743046);(120.052765,0.057468);(123.575935,0.025361);(125.094719,0.031203);(128.247055,0.031094);(137.00798,0.099812);(137.05954,100.0);(137.113708,0.167169);(138.062805,2.388628);(154.07692,0.538838);(154.085968,1.368055);(154.097046,0.247251);(154.122498,0.157939);(154.133591,1.178873);(155.069748,0.218376);(161.784332,0.029478);(173.878082,0.030865)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(81.06949,1.9);(91.05508,100.0);(109.06525,10.7);(119.04983,45.4);(120.06488,2.2);(137.06026,42.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(81.08266,1.7);(91.05524,9.3);(119.05046,8.9);(137.05984,100.0);(154.08177,2.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.039,5.91);(79.055,1.1);(81.07,1.9);(91.054,100.0);(109.065,1.9);(119.048,27.33);(137.059,13.61)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0396,10.54);(79.0543,1.25);(81.06927,2.1);(91.0559,100.0);(109.0659,2.48);(119.049,31.97);(137.0602,25.25)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(51.02518,1.2);(58.06641,6.2);(59.07377,1.5);(65.04021,10.8);(68.94361,1.1);(79.05385,2.6);(81.07053,1.7);(91.05563,100.0);(94.0434,1.1);(119.05019,35.6);(137.06164,29.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(85.02804,2.92);(95.01244,3.21);(108.02036,10.78);(109.02822,60.2);(110.03143,2.45);(122.03609,26.82);(123.03944,3.16);(124.01552,1.48);(137.02342,3.0);(152.07072,100.0);(153.01834,38.12);(154.0244,2.46)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(108.02029,2.36);(109.02817,12.44);(122.03608,23.5);(123.04482,2.37);(136.0154,1.08);(137.02344,1.68);(151.05873,1.08);(152.07069,100.0);(153.0183,7.55)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.02359,7.8);(41.03839,4.4);(51.02507,6.7);(58.06536,2.1);(63.02333,2.6);(65.03956,100.0);(66.05207,1.3);(68.94286,2.4);(77.03964,2.1);(79.9481,1.3);(81.03534,2.0);(91.05575,56.5);(100.95337,1.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.03735,6.65);(65.03776,100.0);(66.04156,4.79);(79.05386,1.31);(91.0536,94.81);(92.05745,6.58);(119.04901,1.95);(137.05971,27.44);(138.0631,2.19);(154.08621,12.58);(155.09012,1.08)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.03828,2.66);(65.0396,45.7);(79.0543,2.22);(81.07238,1.01);(91.0559,100.0);(119.0527,6.0);(137.0602,1.05)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.03828,6.63);(51.02273,3.07);(53.0382,1.33);(63.0248,5.84);(65.0396,100.0);(77.03739,1.23);(91.0559,49.44)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.03932,1.7);(59.07372,5.4);(85.94795,2.7);(91.05404,11.4);(91.9594,1.6);(119.05068,12.1);(137.0613,100.0);(154.04688,2.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0559,19.47);(109.0659,1.09);(119.049,14.82);(137.0602,100.0);(154.0891,1.13)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.024,1.0);(65.039,49.65);(79.054,1.6);(91.054,100.0);(119.048,3.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(122.0374,31.41);(123.0452,3.01);(124.0165,1.08);(137.0244,1.85);(152.0716,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(122.0374,100.0);(123.0451,8.15);(124.0165,3.17);(137.0244,5.82);(152.0716,96.23)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(122.0374,100.0);(123.0451,6.55);(124.0165,3.29);(137.0244,6.65);(152.0717,29.69)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.0223,42.44);(41.0371,18.86);(50.0137,5.13);(51.0226,13.37);(60.9855,5.27);(63.022,3.55);(65.0378,100.0);(65.9482,2.1);(77.0415,5.31);(81.0318,3.95);(91.0537,60.42);(94.0407,2.55)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(93.0346,2.97);(95.0503,1.21);(108.0218,1.77);(121.0295,6.51);(122.0374,100.0);(123.0452,7.64);(124.0165,3.66);(135.0452,2.22);(136.0165,1.03);(137.0243,6.47);(152.0716,5.08)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(121.0296,1.17);(122.0374,100.0);(123.0452,6.24);(124.0165,2.98);(137.0244,5.82);(152.0717,11.58)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0385,2.82);(81.0699,2.32);(91.0542,100.0);(109.0647,4.57);(119.0491,55.6);(137.0597,78.59)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(107.0473,2.81);(109.0636,1.68);(114.0019,1.74);(114.9995,1.69);(119.0473,26.85);(136.0742,9.91);(137.0575,100.0);(154.083,4.45)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.023,3.35);(41.039,2.27);(51.024,3.34);(53.041,1.22);(63.023,5.29);(65.039,100.0);(77.039,1.29);(79.054,1.2);(91.054,46.35)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0542,5.57);(119.0491,4.75);(137.0597,100.0);(154.0862,1.44)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0542,24.02);(109.0647,2.09);(119.0491,21.71);(137.0597,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.03545,24.23);(81.06741,2.58);(91.05271,100.0);(92.0531,2.58);(94.03761,1.72);(109.06044,2.58);(119.04884,61.48);(120.05237,1.72);(137.05931,60.79)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0384,5.41);(81.0691,2.25);(91.0539,100.0);(107.0478,1.32);(109.0651,3.63);(119.0491,41.93);(137.059,31.52)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0386,18.28);(79.0542,1.28);(81.0699,1.28);(91.0542,100.0);(119.0491,10.52);(137.0597,3.29)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.0386,6.74);(79.0542,1.26);(81.0699,2.19);(91.0542,100.0);(109.0648,2.11);(119.0491,25.68);(137.0597,15.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0545,8.2);(119.0496,4.34);(137.0593,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(65.039,6.07);(79.055,1.28);(81.07,2.07);(91.054,100.0);(109.065,2.03);(119.048,27.41);(137.059,13.76)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(63.024,1.19);(65.039,49.75);(79.054,1.78);(91.054,100.0);(94.042,1.02);(119.048,3.53)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.054,14.92);(109.063,1.38);(119.048,16.93);(137.059,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(137.059,100.0);(154.085,95.35)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(74.05957,3.6);(91.05366,13.4);(137.05997,100.0);(138.06329,8.5);(139.07292,2.6);(154.08635,14.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.0546,3.83);(119.04916,3.74);(137.05954,100.0);(138.06281,2.39);(154.08597,1.37)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(102.9288,1.06);(104.995,1.29);(105.9887,1.08);(107.0485,16.8);(109.064,5.64);(117.0558,1.96);(117.9129,1.05);(119.049,96.99);(123.9714,1.13);(136.0732,3.5);(137.0596,100.0);(150.9533,1.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(101.0386,8.24);(102.5245,9.98);(104.3262,8.16);(104.9912,12.6);(105.9627,10.03);(107.049,100.0);(109.0644,7.96);(110.0314,9.66);(115.7723,6.67);(117.0557,35.93);(118.0615,31.49);(119.0447,15.27);(127.5042,16.02);(130.1401,9.63);(139.1635,8.86);(141.7973,11.13);(151.3006,6.37);(152.6586,8.8)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(41.03759,9.7);(51.02243,1.2);(53.03803,1.5);(65.0378,100.0);(66.04156,5.0);(79.05381,2.0);(91.05364,18.8);(92.05472,1.7);(93.06816,1.4);(107.04906,1.8);(137.05986,3.5);(154.08629,1.6)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(27.0234751,0.0933017145);(30.03437413,0.0646733483);(42.03437413,0.1076529237);(44.05002419,0.6077477858);(46.06567426,0.1955817405);(52.01872406,0.085674599);(54.03437413,0.0917014065);(56.05002419,0.1757729963);(57.03403978,0.0769439515);(58.06567426,0.1829526609);(66.03437413,0.1263008161);(68.05002419,0.1004620021);(70.06567426,0.0910745635);(94.06567426,0.0855778228);(100.0762389,0.0641513778);(105.0340398,0.1556836383);(107.0496898,0.2404366815);(108.0449388,0.0687448378);(109.0289544,0.9442514588);(110.0605889,0.1037930226);(111.0446045,0.589104411);(112.0762389,0.0761177679);(119.0496898,0.6550557492);(122.0605889,0.299608467);(123.0446045,0.9820271151);(124.0762389,0.4085575457);(125.0602545,0.3632612863);(136.0762389,0.9563189056);(137.0602545,41.96757029);(138.0555035,0.1944827136);(154.0868036,49.8454164)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(30.03437413,1.440640878);(44.05002419,1.628529499);(46.06567426,0.5848651122);(51.0234751,0.6611484471);(53.03912516,0.9283914291);(65.03912516,0.401197593);(66.03437413,0.7518234254);(68.05002419,0.9080673005);(70.06567426,0.920185986);(72.08132432,0.4576395739);(79.05477522,0.5251051099);(80.05002419,0.4509755353);(82.06567426,0.7748839186);(92.05002419,0.4536268597);(94.06567426,0.5974702076);(96.08132432,0.3861975299);(98.09697438,0.4997403578);(105.0340398,2.008629428);(107.0496898,4.827989153);(109.0289544,3.141125683);(110.0605889,0.4149791568);(111.0446045,1.358652949);(119.0496898,1.815750217);(122.0605889,0.7828481936);(123.0446045,3.280083495);(124.0762389,2.512436842);(125.0602545,1.162523771);(127.0759046,0.5427998804);(136.0762389,0.6761679943);(137.0602545,44.25218991);(154.0868036,20.85333456)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,1.481763568);(41.03912516,1.878643229);(42.03437413,1.648644547);(44.05002419,1.796226026);(51.0234751,13.27258957);(52.01872406,1.956508231);(53.03912516,5.721284781);(54.03437413,2.61208463);(56.05002419,1.466319715);(65.03912516,1.553965839);(66.03437413,5.87836126);(67.05477522,1.110053816);(68.05002419,2.764087461);(77.03912516,3.982995937);(79.01838972,2.174531058);(79.05477522,5.246020934);(80.05002419,1.204283421);(81.07042529,3.14271747);(82.06567426,1.11360382);(92.05002419,2.021136202);(93.03403978,3.21542133);(94.06567426,1.599130444);(95.04968984,1.442628021);(105.0340398,2.068347053);(107.0496898,3.709237888);(109.0289544,6.410523062);(111.0446045,1.611469807);(119.0496898,7.337417238);(123.0446045,2.509844603);(136.0762389,1.250826619);(137.0602545,6.819332422)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(16.01872406,1.484096904);(17.00273965,0.1669649233);(26.003074,0.0291288319);(28.01872406,0.0955341411);(30.03437413,0.1393151524);(41.00273965,0.1488137275);(44.05002419,0.055243442);(53.00273965,0.0389403228);(55.01838972,0.0301966643);(68.05002419,0.0331848223);(80.05002419,0.0495704864);(83.01330434,0.0532184982);(92.05002419,0.0971679456);(94.06567426,0.2223366882);(96.04493881,0.0389403228);(96.08132432,0.068864244);(98.06058888,0.0291919238);(107.0133043,0.0365656644);(108.0449388,0.0509753084);(109.0289544,0.0879439397);(110.0605889,0.2794781217);(120.0449388,0.0476316392);(121.0289544,0.2476844397);(122.0605889,0.3326273184);(123.0446045,1.21973117);(125.0602545,0.1053695817);(126.0555035,0.1666330252);(134.0605889,0.7598042198);(135.0446045,1.067489869);(136.0398534,0.1339344555);(152.0711536,92.68342221)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(16.01872406,1.632991751);(28.01872406,1.087082888);(30.03437413,0.8215732106);(41.00273965,0.2316050899);(44.05002419,0.4203336097);(55.01838972,0.2999520447);(56.05002419,0.2722965485);(68.05002419,0.2713998626);(78.03437413,0.2982861498);(80.05002419,0.5225511761);(90.03437413,0.2796345471);(92.05002419,1.221526671);(94.06567426,1.893752554);(96.08132432,0.659763277);(98.06058888,0.2878497735);(106.0292887,0.2396292754);(107.0133043,0.2256977168);(108.0449388,0.9447268912);(109.0289544,0.4429981171);(110.0605889,2.336186887);(120.0449388,1.107202001);(121.0289544,0.6852681977);(122.0605889,0.7475442552);(123.0446045,3.622745078);(124.0398534,0.3407093922);(125.0602545,0.2058854198);(126.0555035,0.4753878631);(134.0605889,1.84425252);(135.0446045,3.304984395);(136.0398534,1.685017806);(152.0711536,71.59116503)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(16.01872406,2.896324654);(28.01872406,5.535832397);(30.03437413,1.552641032);(40.01872406,1.638171011);(41.00273965,4.947661533);(42.03437413,1.837119439);(44.05002419,3.110428333);(51.0234751,1.219005586);(68.05002419,1.212045492);(77.03912516,1.59459026);(78.03437413,1.194452051);(80.05002419,2.291602609);(91.01838972,2.30899546);(92.05002419,2.405142128);(93.03403978,3.808360136);(94.06567426,2.487782467);(105.0340398,3.05683471);(106.0292887,1.226500281);(107.0133043,4.591660608);(108.0449388,2.472603628);(109.0289544,5.529338185);(110.0605889,2.643594771);(111.0446045,1.383429033);(117.0340398,4.480245048);(120.0449388,2.864401415);(121.0289544,4.017509256);(122.0605889,3.277968745);(123.0446045,4.414172503);(134.0605889,3.708853542);(135.0446045,10.29451563);(152.0711536,5.998218055)

Food Sources

	Name	Group
	Banana	Fruit, Tropical fruits	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
Dopamine	Dopamine 3-O-sulfate	human	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₈H₁₁NO₅S	233.035793632
Dopamine	Dopamine 4-O-sulfate	human	plasma, urine	host metabolism	Not Available	Not Available	Not Available	C₈H₁₁NO₅S	233.035793632
Dopamine	3-Methoxytyramine sulfate	human	plasma, urine	Not Available	Not Available	Not Available	Not Available	C₉H₁₃NO₅S	247.051443697

Inter-Individual Variations in Metabolism

	Food Phytochemical		Metabolite	Effect	Value

Back

Showing entry for Dopamine