PhytoHub: Showing entry for Harmine

Harmine

Identification

PhytoHub ID

PHUB000830

Name

Harmine

Systematic Name

Not Available

Synonyms

Banisterine
Leucoharmine
Telepathine
Yageine

CAS Number

Not Available

Average Mass

212.252

Monoisotopic Mass

212.094963014

Chemical Formula

C₁₃H₁₂N₂O

IUPAC Name

7-methoxy-1-methyl-9H-pyrido[3,4-b]indole

InChI Key

BXNJHAXVSOCGBA-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3

SMILES

COC1=CC=C2C(NC3=C2C=CN=C3C)=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 6.13e-02 g/l
LogS (ALOGPS): -3.54
LogP (ALOGPS): 3.05
Hydrogen Acceptors: 2
Hydrogen Donors: 1
Rotatable Bond Count: 1
Polar Surface Area: 37.91
Refractivity: 62.370000000000005
Polarizability: 23.45017546276286
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): 6.153844207655581
pKa (strongest acidic): 13.542985998251853
Number of Rings: 3
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: Yes
MDDR-like Rule: No

External Links

ChEBI: 28121
PubChem: 5280953
Chemistry Dashboard: DTXSID30196066
KNApSAcK: C00001737
MetaboLights: MTBLC28121
FooDB (Compounds): FDB002149
PeakForestCompound: 000630

Taxonomy as Food Phytochemical

Family: N-containing compounds
Class: Alkaloids
Sub-class: Miscellaneous alkaloids

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Harmala alkaloids
Super-class: Alkaloids and derivatives
Sub-class: Not Available
Direct Parent Name: Harmala alkaloids
Alternative Parent Names: ["Alkyl aryl ethers", "Anisoles", "Azacyclic compounds", "Beta carbolines", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Indoles", "Methylpyridines", "Organonitrogen compounds", "Organopnictogen compounds", "Pyrroles"]
External Descriptor Annotations: ["Indole alkaloids", "an alkaloid", "harmala alkaloid"]
Substituent Names: ["Alkyl aryl ether", "Anisole", "Aromatic heteropolycyclic compound", "Azacycle", "Benzenoid", "Beta-carboline", "Ether", "Harman", "Heteroaromatic compound", "Hydrocarbon derivative", "Indole", "Indole or derivatives", "Methylpyridine", "Organic nitrogen compound", "Organic oxygen compound", "Organoheterocyclic compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Pyridine", "Pyridoindole", "Pyrrole"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(104.0368962,4.333607884);(106.0413131,2.894992332);(106.0525454,3.576092621);(107.06037,1.64958226);(128.0368962,3.212502246);(142.0525454,2.327055782);(144.0681946,1.964217224);(152.0368962,1.993698214);(154.0525454,3.50438955);(156.0681946,3.170539903);(157.0760192,1.683756395);(158.0838438,1.919674842);(166.0525454,2.537770725);(167.06037,4.134020919);(168.0681946,4.829214275);(169.0522109,2.554517765);(169.0760192,5.753102451);(170.0600355,1.869306669);(171.0678601,3.16096598);(172.0756847,3.334509998);(180.0681946,1.776926404);(181.0760192,1.905790983);(182.0474595,1.845003393);(182.0838438,2.966789968);(184.0631087,3.121313451);(185.0835093,1.893798656);(186.0787579,3.256752659);(196.0631087,3.071255184);(197.0709333,6.028901184);(211.0865825,3.232605783);(212.0944071,10.4973443)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(104.0368962,3.037328285);(106.0413131,1.372572589);(106.0525454,2.059159966);(128.0368962,2.122117823);(142.0525454,1.537208746);(143.06037,1.267058255);(144.0681946,1.297524502);(152.0368962,1.633477702);(153.0447208,1.165598713);(154.0525454,2.702961635);(156.0681946,2.260309754);(158.0838438,1.412715074);(166.0525454,1.494909668);(167.06037,1.339761345);(168.0681946,2.213251849);(169.0522109,1.141851188);(169.0760192,2.272999531);(170.0600355,1.334866302);(171.0678601,1.562015834);(172.0756847,1.638286222);(180.0681946,1.173803752);(181.0760192,1.25892924);(182.0838438,1.95980497);(184.0631087,1.694522701);(185.0835093,2.085955897);(186.0787579,1.870412149);(196.0631087,2.737400657);(197.0709333,4.55237038);(211.0865825,1.540894844);(212.0944071,7.21323187);(213.0974988,1.118404561)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(104.0368962,3.037328285);(106.0413131,1.372572589);(106.0525454,2.059159966);(128.0368962,2.122117823);(142.0525454,1.537208746);(143.06037,1.267058255);(144.0681946,1.297524502);(152.0368962,1.633477702);(153.0447208,1.165598713);(154.0525454,2.702961635);(156.0681946,2.260309754);(158.0838438,1.412715074);(166.0525454,1.494909668);(167.06037,1.339761345);(168.0681946,2.213251849);(169.0522109,1.141851188);(169.0760192,2.272999531);(170.0600355,1.334866302);(171.0678601,1.562015834);(172.0756847,1.638286222);(180.0681946,1.173803752);(181.0760192,1.25892924);(182.0838438,1.95980497);(184.0631087,1.694522701);(185.0835093,2.085955897);(186.0787579,1.870412149);(196.0631087,2.737400657);(197.0709333,4.55237038);(211.0865825,1.540894844);(212.0944071,7.21323187);(213.0974988,1.118404561)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(196.0644,14.58758);(197.0677,1.793722);(211.088,100.0);(212.0911,15.769806);(213.0939,1.209403)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(196.0644,100.0);(197.0677,15.417525);(198.0705,1.241219);(211.0879,19.743305);(212.091,3.353932)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(168.0695,18.351648);(169.0727,2.681319);(195.0566,2.532967);(196.0645,100.0);(197.0676,16.362637);(198.0707,1.241758)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(167.0608,1.958457);(168.0692,79.302671);(169.0725,10.860534);(195.0564,34.094955);(196.064,100.0);(197.0674,12.715134)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(167.0617,14.595899);(168.0695,95.17491);(169.0728,9.24809);(195.0565,100.0);(196.0637,39.726578);(197.0669,8.80579)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(107.9329,0.687947);(124.5262,0.577876);(133.8615,0.90809);(162.8594,1.128233);(163.1066,0.935608);(168.0738,1.816181);(196.0638,89.818382);(196.1082,2.944414);(196.1562,0.935608);(196.1927,1.183269);(196.887,1.43093);(211.087,100.0)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(137.4207,0.466989);(168.0688,4.927536);(168.1042,0.338164);(195.0551,1.046699);(196.0291,0.386473);(196.0634,100.0);(196.105,4.202899);(196.1654,0.853462);(196.1949,1.288245);(196.2169,0.354267);(196.249,0.386473);(196.3067,0.354267);(196.412,0.547504);(196.5241,0.354267);(196.63,0.37037);(196.8204,0.37037);(197.0689,0.338164);(197.8538,0.37037);(211.0866,4.589372)
LC-MS/MS	LC-ESI-QTOF	negative	Not Available	View Spectrum	(167.0599,4.715447);(168.0613,5.203252);(168.0692,100.0);(168.1066,5.04065);(195.0472,3.739837);(195.0555,37.723577);(196.0651,36.585366);(196.0729,4.552846)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(213.1024,100.0);(214.1055,9.992991)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(198.0789,12.824987);(199.082,1.241137);(213.1026,100.0);(214.1056,12.177632)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(170.0842,58.198155);(171.0872,5.184116);(198.079,100.0);(199.0821,9.597005);(213.1024,48.531622);(214.1056,5.141864)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(144.0808,1.945489);(155.0606,1.495008);(169.0761,16.368445);(170.0841,100.0);(171.087,8.79302);(198.0787,18.671944);(199.0818,2.063147);(213.1021,1.832509)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(118.0653,1.453367);(128.0497,1.223991);(142.0652,2.236251);(143.0728,1.950021);(144.0809,11.120478);(145.0841,1.050162);(155.0606,9.933082);(168.0682,1.340313);(169.0762,100.0);(170.0836,94.07936);(171.0869,8.522193);(198.0785,3.005411)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(169.0725,1.382887);(170.0798,3.802939);(198.0789,6.784788);(213.1013,100.0)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(144.0732,1.718009);(155.0567,1.718009);(169.0769,8.353081);(170.084,43.305687);(170.1195,2.191943);(198.0784,100.0);(198.1126,3.791469);(198.1312,2.606635);(198.2083,1.421801);(213.1012,97.156398)
LC-MS/MS	LC-ESI-QTOF	positive	Not Available	View Spectrum	(115.055,2.711864);(118.0652,3.254237);(128.0448,3.186441);(129.0543,2.915254);(130.0675,1.491525);(142.0677,2.508475);(143.0666,3.389831);(144.071,2.101695);(144.0804,9.830508);(155.0608,12.542373);(168.0683,3.457627);(169.0754,86.033898);(170.0828,100.0);(170.121,2.915254);(198.0747,4.813559)
LC-MS/MS	Not Available	positive	Not Available	View Spectrum	(95.328415,0.044735);(95.797318,0.033551);(96.146332,0.041939);(97.391541,0.02796);(97.415108,0.047531);(97.735573,0.041939);(98.196541,0.075491);(98.52224,0.083879);(98.53804,0.081083);(98.878159,0.086674);(98.923683,0.08947);(98.943474,0.036347);(98.998917,0.078287);(99.127678,0.047531);(99.278343,0.067103);(99.63562,0.08947);(99.705162,0.055919);(99.846321,0.072695);(100.170753,0.092266);(100.57753,0.086674);(100.707413,0.083879);(100.761253,0.061511);(101.239304,0.075491);(101.570007,0.039143);(102.2995,0.08947);(102.315544,0.081083);(102.567352,0.075491);(102.639931,0.075491);(103.583748,0.047531);(103.656685,0.036347);(103.672897,0.033551);(103.877678,0.055919);(103.952744,0.069899);(104.032227,0.086674);(104.161865,0.08947);(104.367126,0.064307);(104.448471,0.039143);(104.57666,0.078287);(104.753807,0.025164);(104.906639,0.075491);(105.457771,0.08947);(106.008293,0.061511);(106.061584,0.064307);(106.26255,0.08947);(106.519165,0.061511);(106.623085,0.072695);(106.628502,0.092266);(106.656837,0.08947);(106.932449,0.055919);(107.189873,0.092266);(107.379532,0.033551);(107.575554,0.030755);(107.734566,0.050327);(107.749023,0.086674);(107.82341,0.086674);(108.668274,0.083879);(108.952698,0.081083);(109.243744,0.036347);(109.787361,0.08947);(109.831161,0.067103);(110.146355,0.050327);(110.539406,0.064307);(110.564514,0.036347);(110.960403,0.08947);(111.092529,0.053123);(111.189049,0.030755);(111.312904,0.081083);(111.346504,0.061511);(111.363304,0.092266);(111.94165,0.022368);(112.10807,0.055919);(112.226112,0.061511);(112.339996,0.092266);(112.521492,0.041939);(112.561607,0.086674);(112.6651,0.072695);(112.851082,0.055919);(112.997017,0.075491);(113.01606,0.072695);(113.162102,0.069899);(113.185394,0.061511);(113.399361,0.086674);(113.484154,0.055919);(113.912849,0.092266);(113.955338,0.092266);(114.006332,0.039143);(114.041229,0.053123);(114.099861,0.075491);(114.197678,0.081083);(115.054375,1.252586);(115.133293,0.086674);(115.180283,0.055919);(115.237961,0.083879);(115.370468,0.075491);(115.547974,0.041939);(115.941963,0.02796);(116.596527,0.078287);(116.755615,0.092266);(116.906204,0.092266);(118.127396,0.055919);(118.14254,0.030755);(118.395782,0.058715);(119.074341,0.069899);(119.148453,0.092266);(119.239716,0.078287);(119.755356,0.08947);(119.846855,0.039143);(120.003784,0.086674);(120.70031,0.075491);(120.776848,0.041939);(120.910316,0.075491);(121.019768,0.08947);(121.041664,0.081083);(121.543625,0.078287);(121.670921,0.041939);(122.080421,0.075491);(122.34584,0.092266);(122.392075,0.072695);(122.427307,0.08947);(122.466957,0.078287);(123.252319,0.030755);(123.920525,0.078287);(123.987007,0.08947);(124.583878,0.078287);(124.739433,0.072695);(124.955147,0.083879);(124.999649,0.067103);(125.12429,0.08947);(125.171051,0.092266);(125.400505,0.081083);(125.647255,0.072695);(125.857826,0.030755);(125.940453,0.047531);(126.228752,0.081083);(126.248878,0.050327);(126.289131,0.092266);(126.425606,0.053123);(126.880302,0.081083);(127.149475,0.069899);(127.59198,0.078287);(128.215485,0.086674);(128.319183,0.047531);(128.840515,0.075491);(128.865356,0.092266);(129.080826,0.078287);(129.215805,0.033551);(129.455734,0.039143);(129.505554,0.08947);(129.562195,0.02796);(129.643753,0.092266);(129.859131,0.081083);(130.37677,0.095062);(130.667816,0.075491);(130.706497,0.083879);(130.922684,0.095062);(131.479019,0.075491);(131.529236,0.078287);(132.208038,0.072695);(132.256104,0.039143);(132.705109,0.064307);(132.957428,0.086674);(133.0522,0.086674);(133.064224,0.053123);(133.251343,0.092266);(133.297302,0.064307);(133.55249,0.081083);(134.241104,0.050327);(134.309113,0.095062);(134.34259,0.058715);(134.381805,0.025164);(134.772003,0.064307);(135.28775,0.08947);(135.352585,0.092266);(135.38269,0.083879);(135.758102,0.041939);(135.990097,0.072695);(136.224625,0.02796);(136.336151,0.075491);(136.368683,0.047531);(136.491898,0.047531);(136.659363,0.086674);(136.882828,0.033551);(137.27565,0.092266);(137.346115,0.092266);(137.977112,0.083879);(138.484894,0.092266);(138.536438,0.095062);(138.595001,0.030755);(138.625763,0.086674);(138.813004,0.078287);(139.028824,0.092266);(139.052292,0.050327);(139.106277,0.041939);(139.221313,0.072695);(139.272995,0.058715);(139.430405,0.069899);(139.830215,0.095062);(140.110428,0.019572);(140.440445,0.064307);(140.577286,0.092266);(140.610321,0.075491);(140.652802,0.083879);(141.219879,0.095062);(141.394653,0.086674);(141.624619,0.02796);(141.918472,0.095062);(142.064804,1.258178);(142.186523,0.095062);(142.264862,0.086674);(142.281479,0.095062);(142.302841,0.044735);(142.459595,0.095062);(142.485718,0.025164);(142.509476,0.092266);(142.806625,0.086674);(142.87323,0.078287);(142.951126,0.053123);(143.006485,0.02796);(143.146942,0.050327);(143.166,0.019572);(143.204102,0.030755);(143.254852,0.064307);(143.273178,0.019572);(143.335129,0.061511);(143.358704,0.050327);(143.529678,0.095062);(144.077301,5.482861);(144.146042,0.050327);(144.168991,0.078287);(144.210968,0.064307);(1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LC-MS/MS	Not Available	positive	Not Available	View 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2,0.029999);(212.616409,0.017516);(212.80217,0.018187);(212.865051,0.025771);(212.897598,0.005503);(212.935165,0.014295);(212.97937,0.06738);(213.103317,51.934918);(213.168533,0.005235);(213.197891,0.014429);(213.216187,0.013624);(213.284714,0.0302);(213.332916,0.020133);(213.364807,0.017382);(213.405365,0.001275);(213.435776,0.004765);(213.457382,0.010067);(213.481766,0.003892);(213.519028,0.005973);(213.543228,0.004496);(213.57074,0.017717);(213.603455,0.016912);(213.64621,0.022281);(213.693893,0.005637);(213.730637,0.020066);(213.848618,0.008389);(213.915649,0.015637);(214.048874,0.035166);(214.106155,3.667026);(214.260651,0.004295);(214.297333,0.004966);(214.547287,0.006443);(214.588913,0.004429);(214.716599,0.00302);(215.014114,0.008926);(215.115768,0.022549);(215.181503,0.0051);(215.206299,0.017583);(215.2397,0.00349);(215.267426,0.007047);(215.303589,0.003087);(215.366364,0.008926);(215.468826,0.010738);(215.520309,0.018388);(215.56662,0.013691);(215.620926,0.021341);(215.668884,0.013691);(215.73819,0.020268);(215.806808,0.017919);(215.85376,0.018858);(215.887558,0.005369);(215.950989,0.010201);(216.002975,0.015436);(216.130493,0.001879);(216.449265,0.005168);(216.883713,0.007986);(217.020065,0.007986);(217.178299,0.007919);(217.769379,0.004027);(217.84671,0.002752);(219.237762,0.008792);(220.234467,0.005772);(221.762787,0.002953);(221.873978,0.005369);(223.035477,0.005973);(223.216064,0.007516);(223.27684,0.008322);(223.544052,0.014966);(223.617996,0.004496);(223.788391,0.004631);(224.379059,0.001812);(224.668716,0.005637);(225.431122,0.006443);(226.052307,0.002013);(226.179764,0.001275);(226.670349,0.001678);(226.973984,0.002617);(227.692169,0.004631);(228.342987,0.004765);(228.833038,0.004564);(228.968826,0.005033);(229.556061,0.014563);(229.662384,0.004564);(229.757935,0.003423);(231.37291,0.004228);(232.463699,0.008724);(235.568695,0.001879);(266.283356,0.003624);(287.795197,0.001611);(324.07193,0.004765);(357.366333,0.003087);(384.625458,0.021878);(428.670319,0.004698);(450.346008,0.004295);(492.641968,0.002148);(494.575043,0.010604);(598.827515,0.006107);(601.237061,0.004362);(734.616333,0.004966);(790.27417,0.003825);(801.631836,0.00651);(833.880859,0.001745);(923.154846,0.006778);(970.275757,0.002282);(1044.470093,0.002416);(1048.282593,0.006376);(1106.40979,0.001208);(1220.817139,0.014026);(1300.100586,0.005906);(1305.897217,0.009261);(1381.330444,0.001678);(1410.049438,0.008993);(1419.489136,0.008993);(1472.604736,0.014764);(1477.90686,0.004161);(1501.696289,0.009932);(1503.973389,0.012416);(1515.239502,0.006107);(1520.06665,0.015704);(1558.081421,0.021006);(1577.41272,0.012952);(1577.621582,0.004094);(1578.131104,0.013422);(1615.846558,0.015301);(1622.81311,0.005637);(1641.181641,0.010604);(1657.91394,0.01557);(1679.610962,0.021006);(1691.985718,0.012416);(1712.161865,0.005436);(1728.382324,0.01114);(1740.975464,0.011879);(1744.825195,0.011879);(1752.183472,0.013691);(1769.708252,0.01604);(1776.921509,0.017113);(1802.125122,0.018187);(1811.147583,0.010067);(1824.313721,0.003892);(1830.747803,0.00953);(1834.437012,0.011946);(1839.823364,0.016711);(1845.233154,0.021408);(1849.834961,0.018388);(1887.313232,0.019865);(1912.29126,0.016845);(1924.342529,0.010335);(1933.790527,0.010805);(1934.383789,0.00859);(1934.569946,0.014093);(1937.040649,0.020603);(1938.09375,0.011208);(1941.372681,0.010268);(1942.517334,0.01812);(1949.449341,0.002617);(1957.524292,0.011677);(1964.8125,0.012214);(1973.631836,0.012416);(1982.569702,0.014563);(1992.338745,0.011476);(1994.441406,0.011409);(2002.12854,0.018724)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(198.07867,1.4);(213.10323,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(167.0599,4.72);(168.0613,5.2);(168.0692,100.0);(168.1066,5.04);(195.0472,3.74);(195.0555,37.72);(196.0651,36.59);(196.0729,4.55)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.08026,1.3);(169.07741,8.3);(170.08467,26.3);(171.08904,3.4);(198.08057,24.8);(199.08231,4.2);(213.10332,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(167.0617,14.6);(168.0695,95.17);(169.0728,9.25);(195.0565,100.0);(196.0637,39.73);(197.0669,8.81)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.10329,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(93.05695,6.6);(101.03117,1.4);(102.04607,4.3);(103.05489,1.2);(115.05476,11.5);(117.05655,3.3);(118.06664,1.1);(127.0427,1.3);(128.04932,5.1);(140.04666,1.1);(142.06696,8.7);(144.08063,18.3);(145.06773,1.6);(153.04753,2.4);(155.06064,3.5);(156.0672,5.3);(168.07318,5.8);(169.07672,100.0);(170.08629,41.3);(171.08395,4.4);(172.05627,1.3);(173.0802,1.1);(199.08983,1.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(85.08432,1.5);(158.03365,1.5);(193.07637,1.3);(196.06277,100.0);(197.06578,5.0);(198.06154,3.0);(211.0874,71.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(66.04649,1.6);(75.02568,1.4);(90.04659,1.7);(93.06027,1.4);(102.03546,1.6);(103.05706,4.9);(114.02172,1.6);(115.05356,4.8);(116.04401,1.9);(117.06497,3.7);(118.06849,1.5);(128.04736,4.9);(129.04958,1.8);(140.04576,5.0);(142.0654,9.6);(143.05008,2.0);(144.08229,11.3);(145.05742,1.4);(146.88069,1.4);(152.05298,2.0);(153.04675,4.7);(155.0619,18.7);(168.06851,11.1);(169.07632,100.0);(170.08206,58.8);(171.086,7.8);(174.16704,1.4);(198.08067,3.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(170.083,5.96);(198.0782,33.08);(199.0812,2.86);(213.1024,100.0);(214.1051,20.06);(215.1077,1.07)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.1021,100.0);(214.1048,17.92);(215.1074,1.05)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.07773,1.3);(155.06204,1.9);(169.07538,23.5);(170.08405,100.0);(171.0867,15.5);(198.08032,40.1);(199.08261,8.2);(213.10361,7.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.08159,1.1);(169.07619,7.5);(170.08424,26.3);(171.08676,3.2);(198.07988,24.8);(199.08188,2.6);(213.10268,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(169.0725,1.38);(170.0798,3.8);(198.0789,6.78);(213.1013,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.0732,1.72);(155.0567,1.72);(169.0769,8.35);(170.084,43.31);(170.1195,2.19);(198.0784,100.0);(198.1126,3.79);(198.1312,2.61);(198.2083,1.42);(213.1012,97.16)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.10182,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.04335,1.2);(168.06807,16.4);(169.0753,2.9);(195.05081,1.8);(196.06236,100.0);(197.06427,8.5);(211.08623,24.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.10251,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.0697,1.4);(144.08189,2.5);(155.0585,1.7);(169.07628,19.2);(170.08453,100.0);(171.0883,12.9);(198.07919,38.5);(199.08093,4.1);(213.10361,7.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.07185,1.4);(196.0632,100.0);(197.06407,7.0);(211.08727,73.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(86.34908,1.2);(89.03929,1.2);(90.04822,1.3);(93.0631,1.5);(99.03034,1.6);(101.03494,1.2);(102.03849,2.0);(115.05453,7.11);(116.04411,1.6);(117.05916,3.1);(118.06822,3.3);(119.06966,1.9);(124.03016,1.6);(126.03567,2.8);(128.05002,4.9);(130.05872,2.6);(140.04449,1.3);(141.05504,2.3);(142.06656,1.7);(143.06445,2.7);(144.08049,9.11);(152.04068,1.1);(153.0376,3.0);(153.84172,1.2);(155.05988,2.4);(156.06906,1.9);(167.05421,1.5);(168.06711,4.9);(169.07585,100.0);(170.08708,39.44);(171.08603,5.81);(172.09369,1.2);(174.04367,1.1);(197.06664,1.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(169.07739,7.0);(170.08435,28.0);(171.08609,3.2);(198.0806,19.5);(199.08479,4.0);(213.10272,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(118.0653,1.45);(128.0497,1.22);(142.0652,2.24);(143.0728,1.95);(144.0809,11.12);(145.0841,1.05);(155.0606,9.93);(168.0682,1.34);(169.0762,100.0);(170.0836,94.08);(171.0869,8.52);(198.0785,3.01)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(139.24013,1.2);(168.07024,11.21);(169.07451,2.2);(176.38518,1.2);(195.0583,4.5);(196.06395,100.0);(197.06985,19.12);(198.0705,3.0);(199.07072,1.0);(211.08914,20.82)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.0792,1.0);(169.0748,8.31);(170.0826,82.28);(171.0857,8.41);(198.0779,100.0);(199.0809,9.51);(213.1013,37.24);(214.1044,4.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.1024,100.0);(214.1055,10.01)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.08104,1.0);(169.07739,7.01);(170.08435,27.93);(171.08609,3.2);(198.0806,19.52);(199.08479,4.0);(213.10272,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.1024,100.0);(214.1055,9.99)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(198.0789,12.82);(199.082,1.24);(213.1026,100.0);(214.1056,12.18)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(103.05869,1.2);(115.05527,11.51);(116.05593,2.2);(117.05661,5.01);(118.06022,5.11);(126.03721,1.1);(128.05109,2.9);(140.05028,1.6);(141.05531,1.0);(142.06659,10.11);(143.07315,2.1);(144.08046,8.81);(155.06483,6.71);(157.00674,1.0);(168.06856,7.71);(169.07684,100.0);(170.08488,49.45);(171.08441,8.91);(178.02733,1.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(169.05212,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.06735,100.0);(169.08443,11.4);(183.04359,9.2);(195.04254,9.9);(196.0686,15.1);(197.0587,7.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.0808,1.95);(155.0606,1.5);(169.0761,16.37);(170.0841,100.0);(171.087,8.79);(198.0787,18.67);(199.0818,2.06);(213.1021,1.83)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(170.0842,58.2);(171.0872,5.18);(198.079,100.0);(199.0821,9.6);(213.1024,48.53);(214.1056,5.14)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.0782,1.0);(169.07491,6.91);(170.08389,24.52);(171.08815,2.8);(198.07854,20.72);(199.08302,3.3);(213.1028,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(130.02602,2.1);(161.84908,1.6);(196.06372,100.0);(197.06979,16.0);(211.08908,69.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(167.07039,3.6);(168.06754,100.0);(169.07069,7.7);(195.06122,19.2);(196.06136,89.4);(197.07097,9.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.06509,100.0);(173.85071,6.5);(195.05354,10.2);(196.0625,50.9)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(196.06378,100.0);(197.06609,14.4);(211.08669,94.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(139.24013,1.2);(168.07024,11.2);(169.07451,2.2);(176.38518,1.2);(195.0583,4.5);(196.06395,100.0);(197.06985,19.1);(198.0705,3.0);(211.08914,20.8)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(123.08304,2.1);(155.13383,1.3);(196.064,83.7);(197.06779,12.3);(208.50294,1.6);(211.08827,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(167.95534,1.0);(168.06807,16.42);(169.0753,2.9);(195.05081,1.8);(196.06236,100.0);(197.06427,8.51);(211.08623,24.72)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.08104,1.0);(169.07739,7.01);(170.08435,28.03);(171.08609,3.2);(198.0806,19.52);(199.08479,4.0);(213.10272,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(155.06294,1.0);(169.07542,7.41);(170.08394,26.33);(171.0862,3.5);(198.07877,22.72);(199.08427,3.3);(213.10262,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.07072,41.7);(169.06639,10.7);(195.05583,23.0);(196.06377,100.0);(197.06253,9.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.07066,100.0);(195.05849,72.1)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(196.06352,100.0);(197.06718,9.71);(211.08856,90.99)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.06429,1.7);(168.07588,1.9);(195.05936,2.2);(196.06395,100.0);(197.07028,11.1);(198.07121,4.7);(211.0874,23.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(195.05934,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(195.05792,100.0);(196.0694,67.7)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(157.07687,3.2);(168.06894,7.2);(169.07387,4.9);(195.05618,1.6);(196.06255,100.0);(197.06734,19.0);(211.08707,27.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.07916,1.4);(169.07785,6.3);(170.08514,26.1);(171.08916,2.4);(198.08025,23.4);(199.08195,3.4);(213.10321,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(86.34908,1.2);(89.03929,1.2);(90.04822,1.3);(93.0631,1.5);(99.03034,1.6);(101.03494,1.2);(102.03849,2.0);(115.05453,7.1);(116.04411,1.6);(117.05916,3.1);(118.06822,3.3);(119.06966,1.9);(124.03016,1.6);(126.03567,2.8);(128.05002,4.9);(130.05872,2.6);(140.04449,1.3);(141.05504,2.3);(142.06656,1.7);(143.06445,2.7);(144.08049,9.1);(152.04068,1.1);(153.0376,3.0);(153.84172,1.2);(155.05988,2.4);(156.06906,1.9);(167.05421,1.5);(168.06711,4.9);(169.07585,100.0);(170.08708,39.4);(171.08603,5.8);(172.09369,1.2);(174.04367,1.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.04944,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.06244,29.7);(168.06982,38.5);(169.06932,11.7);(195.05783,32.0);(196.06613,100.0);(197.06822,9.3)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(118.99116,1.8);(168.0728,5.5);(169.0704,1.9);(195.05415,2.1);(196.0647,100.0);(197.06622,12.4);(198.06772,2.6);(199.082,2.0);(211.08983,21.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(80.50095,2.0);(168.07227,5.1);(195.06007,3.6);(196.06357,100.0);(197.06633,14.4);(211.08702,24.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(89.03754,1.7);(92.0485,1.2);(93.05505,4.8);(103.05375,2.5);(113.04253,1.4);(115.05533,6.41);(116.05514,1.6);(117.05518,3.1);(118.0612,1.9);(126.02912,1.3);(127.0327,1.6);(128.05234,6.31);(129.05463,1.0);(130.05806,1.5);(141.05916,1.3);(142.0667,3.1);(143.07561,3.8);(144.06728,10.11);(145.08037,2.6);(146.06007,1.1);(153.05048,2.9);(155.06082,13.11);(168.0744,4.4);(169.07663,100.0);(170.08279,50.55);(171.08723,8.71);(197.07051,2.9);(198.08107,1.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(167.0608,2.0);(168.0692,79.28);(169.0725,10.81);(195.0564,34.13);(196.064,100.0);(197.0674,12.71)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(196.06352,100.0);(197.06718,9.7);(211.08856,91.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.06413,55.8);(168.07169,62.8);(169.07529,6.7);(195.05574,27.6);(196.0639,100.0);(198.06737,6.7)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(198.0809,1.0);(213.10329,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.07869,3.8);(155.06209,2.5);(169.0766,20.5);(170.08377,100.0);(171.08762,13.3);(198.07901,36.5);(199.08485,4.5);(213.10332,8.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.0535,1.53);(128.0484,1.88);(142.0638,3.26);(143.0594,1.5);(144.0794,9.06);(145.0826,1.05);(155.0591,9.65);(168.0668,3.28);(169.075,100.0);(170.0822,70.33);(171.0855,5.7);(198.0776,1.63)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(115.055,2.71);(118.0652,3.25);(128.0448,3.19);(129.0543,2.92);(130.0675,1.49);(142.0677,2.51);(143.0666,3.39);(144.071,2.1);(144.0804,9.83);(155.0608,12.54);(168.0683,3.46);(169.0754,86.03);(170.0828,100.0);(170.121,2.92);(198.0747,4.81)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(169.07739,7.01);(170.08435,27.98);(171.08609,3.21);(198.0806,19.48);(199.08479,4.05);(213.10272,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(93.05911,3.3);(100.02348,1.2);(102.04667,1.5);(103.05284,1.3);(115.05415,4.5);(116.04784,1.8);(117.05537,4.0);(118.0631,3.2);(119.06134,1.8);(126.032,1.3);(128.04311,2.8);(141.05858,2.2);(143.06865,2.4);(144.07935,21.1);(145.07555,3.0);(153.0435,4.3);(155.05945,9.0);(168.06717,6.5);(169.07591,100.0);(170.08456,48.1);(171.08685,3.6);(171.91653,1.2);(198.08246,1.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.10301,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.0667,1.65);(144.0794,4.03);(155.0591,3.81);(169.0749,39.09);(170.0827,100.0);(171.0859,11.49);(198.0779,17.03);(199.0809,2.04);(213.101,1.36)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(213.10291,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(169.07491,6.9);(170.08389,24.5);(171.08815,2.8);(198.07854,20.7);(199.08302,3.3);(213.1028,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.0792,1.01);(169.0748,8.36);(170.0826,82.29);(171.0857,8.48);(198.0779,100.0);(199.0809,9.6);(213.1013,37.33);(214.1044,5.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(144.08147,3.7);(155.06265,2.2);(169.07594,20.6);(170.08403,100.0);(171.08652,12.0);(198.07971,37.4);(199.08267,4.6);(213.10219,5.9)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(196.0644,14.59);(197.0677,1.79);(211.088,100.0);(212.0911,15.77);(213.0939,1.21)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(103.05869,1.2);(115.05527,11.5);(116.05593,2.2);(117.05661,5.0);(118.06022,5.1);(126.03721,1.1);(128.05109,2.9);(140.05028,1.6);(142.06659,10.1);(143.07315,2.1);(144.08046,8.8);(155.06483,6.7);(168.06856,7.7);(169.07684,100.0);(170.08488,49.4);(171.08441,8.9);(178.02733,1.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(162.8594,1.13);(168.0738,1.82);(196.0638,89.82);(196.1082,2.94);(196.1927,1.18);(196.887,1.43);(211.087,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(168.0688,4.93);(195.0551,1.05);(196.0634,100.0);(196.105,4.2);(196.1949,1.29);(211.0866,4.59)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(27.0234751,0.0100245888);(42.03437413,0.0012659795);(54.03437413,0.0017097813);(57.03403978,0.0150535825);(116.0500242,0.002650786);(128.0500242,0.0031946106);(130.0656743,0.0062674602);(131.0609232,0.0632583085);(140.0500242,0.0408143262);(142.0656743,0.0160819309);(146.0605889,0.0042526328);(154.0656743,0.0988041561);(155.0609232,0.1970719732);(156.0449388,0.0066265143);(156.0813243,0.0129321615);(157.0765733,0.352397083);(160.0762389,0.140775402);(164.0500242,0.0352979405);(166.0656743,0.0193465258);(170.0605889,0.0123084601);(172.0762389,1.637217534);(180.0449388,0.010837325);(181.0765733,4.56689936);(183.0922234,1.23172079);(184.0762389,0.9579154886);(185.0714879,0.2104899518);(186.091889,2.774354565);(187.087138,0.1423058777);(196.0762389,1.621309936);(197.0714879,0.4442412336);(213.102788,85.36257374)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(27.0234751,0.0468094707);(42.03437413,0.0151973523);(54.03437413,0.1896784089);(57.03403978,0.038948654);(128.0500242,0.0633130008);(130.0656743,0.0639830077);(131.0609232,0.1661211832);(133.0653399,0.0559306357);(140.0500242,0.0747901037);(142.0656743,0.011789704);(146.0605889,0.0193378287);(154.0656743,0.5289659351);(155.0609232,1.367622844);(156.0449388,0.0087195539);(156.0813243,0.0709053997);(157.0765733,1.282428042);(160.0762389,0.1407441057);(164.0500242,0.0573547223);(166.0656743,0.0286507147);(170.0605889,0.0979969071);(172.0762389,0.976898188);(180.0449388,0.0173811044);(181.0765733,9.415134685);(183.0922234,1.205914697);(184.0762389,3.158243921);(185.0714879,0.4665908733);(186.091889,6.893523088);(187.087138,0.5249054682);(196.0762389,1.398544353);(197.0714879,1.139457317);(213.102788,70.47411873)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,0.5218270569);(114.0343741,1.453017486);(116.0500242,2.151555681);(128.0500242,1.484535845);(130.0656743,5.579318609);(131.0609232,0.9364410753);(133.0653399,1.250684298);(140.0500242,12.55549572);(142.0656743,4.249133656);(146.0605889,0.5722757431);(154.0656743,9.067471127);(155.0609232,4.183100411);(156.0449388,5.211142565);(156.0813243,1.685719121);(157.0765733,7.887127725);(160.0762389,0.9415986908);(164.0500242,2.629390296);(166.0656743,2.179099326);(167.0609232,0.5367158316);(170.0605889,3.120166114);(172.0762389,4.68274827);(180.0449388,1.105097167);(181.0765733,9.271318961);(183.0922234,2.881347969);(184.0762389,2.2393097);(185.0714879,0.4240364182);(186.091889,2.7508224);(187.087138,0.3936517163);(196.0762389,1.823247208);(197.0714879,4.488492481);(213.102788,1.744111327)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.0664073316);(25.00782503,0.0000764266);(31.01838972,0.1811821141);(40.01872406,0.0474619292);(41.00273965,0.0000105215);(55.01838972,0.0260704362);(128.0500242,0.0000105135);(129.0452732,0.0590106349);(130.0292887,0.0000653876);(140.0500242,0.0005882808);(152.0500242,0.0005154963);(153.0452732,0.0129507716);(154.0292887,0.0002715741);(154.0656743,0.0009872287);(155.0609232,0.0721338454);(158.0605889,0.0007728818);(164.0500242,0.0001860988);(165.0452732,0.0061505034);(168.0449388,0.0004305181);(169.0401878,0.0005553718);(170.0605889,0.4708617804);(178.0292887,0.0000633504);(179.0609232,1.23565941);(181.0765733,1.073274393);(182.0605889,0.0153570848);(183.0558378,0.0753384312);(184.0762389,0.0800331621);(185.0714879,0.2892365036);(194.0605889,0.0368123143);(195.0558378,0.9984121191);(211.087138,95.24911359)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(15.0234751,0.187194199);(31.01838972,0.3822528534);(40.01872406,0.0954247645);(41.00273965,0.0008097658);(55.01838972,0.0526612667);(128.0500242,0.0002925049);(129.0452732,0.2009928696);(130.0292887,0.0022804243);(152.0500242,0.010344335);(153.0452732,0.4874360381);(154.0292887,0.0021296988);(154.0656743,0.0098215701);(155.0609232,0.4491684438);(156.0449388,0.0009207937);(158.0605889,0.0179372552);(159.0558378,0.0055032762);(164.0500242,0.0017241918);(165.0452732,0.0330672701);(168.0449388,0.0349290661);(169.0401878,0.0972796273);(170.0605889,0.0697655673);(178.0292887,0.0038861589);(179.0609232,3.102740976);(181.0765733,3.602370716);(182.0605889,0.0858704197);(183.0558378,3.016320811);(184.0762389,0.3431321445);(185.0714879,2.96193418);(194.0605889,0.0401570369);(195.0558378,13.15293233);(211.087138,71.54871944)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(15.0234751,0.2978685322);(31.01838972,0.5966754415);(40.01872406,0.4265419681);(41.00273965,0.1371150023);(55.01838972,3.043934028);(128.0500242,0.222588305);(129.0452732,2.761034346);(130.0292887,0.2429687506);(140.0500242,0.3012746424);(152.0500242,0.3223667137);(153.0452732,6.869445298);(154.0292887,1.011712466);(154.0656743,0.7394553155);(155.0609232,8.07604884);(158.0605889,0.6887760903);(159.0558378,0.2934422872);(164.0500242,0.3294122571);(165.0452732,2.591755925);(168.0449388,1.568381105);(169.0401878,4.277556934);(170.0605889,0.8078185366);(178.0292887,0.4215243926);(179.0609232,4.337159671);(181.0765733,7.798029431);(182.0605889,0.4668256212);(183.0558378,5.416233433);(184.0762389,0.6305727829);(185.0714879,6.043191359);(194.0605889,0.2574131579);(195.0558378,35.17809035);(211.087138,3.844787014)

Food Sources

No food source information available

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

No metabolism information available

Inter-Individual Variations in Metabolism

No data on inter-individual variations available

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Showing entry for Harmine