precursor

Showing entry for (-)-Salsolinol

Identification

PhytoHub ID
PHUB000834
Name
(-)-Salsolinol
Systematic Name
Not Available
Synonyms
Not Available
CAS Number
Not Available
Average Mass
179.219
Monoisotopic Mass
179.094628663
Chemical Formula
C10H13NO2
IUPAC Name
(1S)-1-methyl-1,2,3,4-tetrahydroisoquinoline-6,7-diol
InChI Key
IBRKLUSXDYATLG-LURJTMIESA-N
InChI Identifier
InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m0/s1
SMILES
C[C@@H]1NCCC2=CC(O)=C(O)C=C12
Structure
Similar Structures

Calculated Properties

Solubility (ALOGPS)
6.71e+00 g/l
LogS (ALOGPS)
-1.43
LogP (ALOGPS)
0.16
Hydrogen Acceptors
3
Hydrogen Donors
3
Rotatable Bond Count
0
Polar Surface Area
52.489999999999995
Refractivity
50.99620000000001
Polarizability
19.369291433266163
Formal Charge
0
Physiological Charge
1
pKa (strongest basic)
8.492597186151377
pKa (strongest acidic)
9.52443980965133
Number of Rings
2
Rule of Five
Yes
Bioavailability
Yes
Ghose Filter
Yes
Veber's Rule
No
MDDR-like Rule
No

Taxonomy as Food Phytochemical

Family
N-containing compounds
Class
Miscellaneous N-containing compounds
Sub-class
Not Available

Classyfire Taxonomy

Kingdom Name
Organic compounds
Class
Tetrahydroisoquinolines
Super-class
Organoheterocyclic compounds
Sub-class
Not Available
Direct Parent Name
Tetrahydroisoquinolines
Alternative Parent Names
["1-hydroxy-2-unsubstituted benzenoids", "Aralkylamines", "Azacyclic compounds", "Dialkylamines", "Hydrocarbon derivatives", "Organooxygen compounds", "Organopnictogen compounds"]
External Descriptor Annotations
["Isoquinoline alkaloids", "isoquinolines"]
Substituent Names
["1-hydroxy-2-unsubstituted benzenoid", "Amine", "Aralkylamine", "Aromatic heteropolycyclic compound", "Azacycle", "Benzenoid", "Hydrocarbon derivative", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Secondary aliphatic amine", "Secondary amine", "Tetrahydroisoquinoline"]

Spectra from Phytohub

Spectrum TypeInstrument TypeIon ModeCollision Energy LevelViewPeaks
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(92.04947222,2.039295432);(93.05729682,2.77373899);(94.06512142,1.847486313);(106.0651214,2.533599923);(108.020578,2.205174466);(108.0807706,1.882743357);(109.0284026,2.388188863);(120.0443863,2.559842739);(121.0284026,2.031708106);(134.0600355,2.374687082);(135.0440518,4.127759941);(135.0678601,2.038770042);(136.0393004,2.190882914);(136.0518764,2.481044433);(136.0756847,2.991869011);(137.059701,2.267221762);(137.0835093,1.853433511);(148.0756847,1.804974952);(149.047125,2.211145288);(149.0835093,2.509474551);(150.0549496,2.942856364);(150.0675256,4.124158614);(150.0913339,1.945453044);(151.0627742,3.491160431);(151.0991585,2.82534368);(152.0705988,2.520135555);(153.0784234,1.977383083);(163.0627742,5.574675467);(164.0705988,16.43140527);(178.086248,2.4625547);(179.0940726,8.59183212)
Predicted GC-MSGC-MSPositiveNot AvailableView Spectrum(73.04679982,7.097543022);(75.02606472,1.189622858);(97.01041552,0.9111892136);(99.02606472,1.15283116);(101.0417139,1.04203776);(106.0651214,1.151495261);(113.0417139,1.687579674);(115.0573631,2.637565715);(117.0730123,1.3176622);(122.0964198,1.774358318);(192.0839101,1.103513153);(194.0995593,1.801934686);(205.0917347,1.19365931);(206.0995593,2.891938219);(207.1073839,1.670765414);(209.1230331,1.353502075);(210.1308577,1.954805582);(219.1073839,0.9722350757);(220.1152085,2.06810801);(221.1230331,1.951133929);(222.1308577,3.918842112);(236.1101226,3.441764058);(250.1257718,3.047993397);(251.1335964,1.636197491);(252.141421,1.468651579);(294.1465732,0.7976707756);(307.1418218,2.021240784);(308.1496464,7.422095832);(309.1515794,2.059662592);(310.1491752,0.7889581522);(323.1731202,0.8295235695)
Predicted GC-MSGC-MSEiNot AvailableView Spectrum(92.04947222,1.060185894);(93.05729682,1.486703266);(105.0572968,0.9492255592);(106.0651214,1.510067153);(108.0807706,1.171471812);(109.0284026,0.9483094164);(120.0443863,1.100731414);(133.0522109,0.9127469184);(134.0600355,1.728216026);(135.0440518,1.683132631);(135.0678601,1.229727721);(136.0393004,1.138798028);(136.0518764,1.395750081);(136.0756847,2.33767731);(137.0835093,1.027655082);(148.0756847,1.354419979);(149.047125,1.179314747);(149.0835093,1.655001437);(150.0549496,1.577348909);(150.0675256,1.717644684);(150.0913339,1.66090824);(151.0627742,1.859137269);(151.0991585,1.831216985);(152.0705988,1.35077373);(153.0784234,1.344055218);(161.0835093,0.9153658103);(163.0627742,3.041885613);(164.0705988,8.454485197);(165.0737836,0.9018547219);(178.086248,4.452342673);(179.0940726,4.472530814)
LC-MS/MSNot AvailablenegativeNot AvailableView Spectrum(70.374573,0.037696);(72.178947,0.041761);(92.994278,0.222155);(116.300545,0.049032);(136.015472,0.064751);(149.059753,22.289637);(150.063202,1.224541);(162.055115,2.973558);(163.058472,0.195058);(176.071091,0.188676);(177.037537,1.519334);(177.074783,0.33636);(177.091293,0.574044);(177.902679,0.31056);(178.086624,100.0);(178.843933,0.056247);(178.981918,0.073619);(179.071732,0.321328);(179.089996,6.132963);(195.904938,0.05353)
LC-MS/MSLC-ESI-QQpositiveNot AvailableView Spectrum(29.0,0.14603);(30.0,0.20216);(31.0,0.13266);(43.0,0.12786);(44.0,1.14771);(45.0,0.36849);(57.0,1.52451);(58.0,0.35207);(69.0,0.65307);(70.0,0.13214);(78.0,0.1055);(79.0,0.18357);(91.0,0.67677);(92.0,0.15915);(93.0,0.10312);(98.0,0.17232);(105.0,0.34902);(107.0,0.1577);(115.0,1.5383);(116.0,0.32398);(117.0,18.33774);(118.0,0.15378);(119.0,0.35687);(123.0,0.13183);(127.0,1.46756);(128.0,0.11644);(133.0,0.13849);(134.0,0.23888);(135.0,1.69698);(136.0,0.25979);(137.0,10.25224);(138.0,0.46918);(139.0,3.0324);(140.0,1.02269);(145.0,66.95835);(148.0,0.13565);(151.0,3.59283);(152.0,0.31933);(162.0,0.36322);(163.0,100.0);(164.0,1.04195);(180.0,91.19292);(181.0,0.59885)
LC-MS/MSLC-ESI-QQpositiveNot AvailableView Spectrum(30.0,1.56725);(31.0,0.47883);(42.0,0.13579);(43.0,0.50731);(44.0,1.17897);(45.0,0.43621);(55.0,0.40825);(56.0,0.14933);(57.0,1.79948);(58.0,0.31431);(59.0,0.1334);(67.0,0.11267);(69.0,2.10982);(70.0,0.42663);(71.0,0.14309);(78.0,0.13812);(79.0,0.69407);(80.0,0.29271);(81.0,0.11746);(83.0,0.38408);(87.0,0.16632);(91.0,4.87104);(92.0,0.49745);(93.0,0.29406);(95.0,0.16977);(97.0,0.23749);(98.0,0.13561);(102.0,0.14379);(105.0,1.70058);(106.0,0.13054);(107.0,1.88454);(108.0,0.17058);(109.0,0.29265);(115.0,9.61446);(116.0,0.75928);(117.0,72.99007);(119.0,1.47676);(120.0,0.3128);(121.0,0.26866);(123.0,0.98953);(127.0,5.80703);(128.0,0.47672);(130.0,0.10018);(133.0,1.08177);(134.0,0.53977);(135.0,4.3235);(136.0,0.32599);(137.0,8.832);(138.0,0.61228);(139.0,2.12628);(140.0,0.53283);(144.0,0.10152);(145.0,100.0);(146.0,1.4537);(148.0,0.62979);(149.0,0.16545);(151.0,5.89367);(152.0,0.10105);(161.0,0.15552);(162.0,0.23381);(163.0,48.83256);(164.0,2.32495);(180.0,14.98166);(181.0,0.98988)
LC-MS/MSNot AvailablePositiveNot AvailableView Spectrum(117.07018,5.98);(137.0598,7.51);(145.06491,33.92);(151.07547,2.12);(163.07555,79.25);(164.07877,1.59);(180.10211,100.0);(181.10529,2.02)
LC-MS/MSLC-UNKNOWN-QQQPositivemediumView Spectrum(57.0,0.01401401);(58.0,0.002002);(69.0,0.00500501);(70.0,0.0);(78.0,0.0);(79.0,0.0);(91.0,0.00500501);(92.0,0.0);(93.0,0.0);(98.0,0.0);(105.0,0.002002);(107.0,0.0);(115.0,0.01401401);(116.0,0.002002);(117.0,0.18218218);(118.0,0.0);(119.0,0.002002);(123.0,0.0);(127.0,0.01301301);(128.0,0.0);(133.0,0.0);(134.0,0.001001);(135.0,0.01501502);(136.0,0.001001);(137.0,0.1011011);(138.0,0.003003);(139.0,0.02902903);(140.0,0.00900901);(145.0,0.66866867);(148.0,0.0);(151.0,0.03403403);(152.0,0.002002);(162.0,0.002002);(163.0,1.0);(164.0,0.00900901);(180.0,0.91091091);(181.0,0.004004)
LC-MS/MSLC-UNKNOWN-QQQPositivemediumView Spectrum(55.0,0.003003);(56.0,0.0);(57.0,0.01601602);(58.0,0.002002);(59.0,0.0);(67.0,0.0);(69.0,0.02002002);(70.0,0.003003);(71.0,0.0);(78.0,0.0);(79.0,0.00500501);(80.0,0.001001);(81.0,0.0);(83.0,0.002002);(87.0,0.0);(91.0,0.04704705);(92.0,0.003003);(93.0,0.001001);(95.0,0.0);(97.0,0.001001);(98.0,0.0);(102.0,0.0);(105.0,0.01601602);(106.0,0.0);(107.0,0.01701702);(108.0,0.0);(109.0,0.001001);(115.0,0.0950951);(116.0,0.00600601);(117.0,0.72872873);(119.0,0.01301301);(120.0,0.002002);(121.0,0.001001);(123.0,0.00800801);(127.0,0.05705706);(128.0,0.003003);(130.0,0.0);(133.0,0.00900901);(134.0,0.004004);(135.0,0.04204204);(136.0,0.002002);(137.0,0.08708709);(138.0,0.00500501);(139.0,0.02002002);(140.0,0.004004);(144.0,0.0);(145.0,1.0);(146.0,0.01301301);(148.0,0.00500501);(149.0,0.0);(151.0,0.05705706);(152.0,0.0);(161.0,0.0);(162.0,0.001001);(163.0,0.48748749);(164.0,0.02202202);(180.0,0.14814815);(181.0,0.00800801)
LC-MS/MSLC-ESI-QFTPositivemediumView Spectrum(51.0238266,0.00075322);(58.06609344,0.00060776);(63.96871185,0.00044767);(65.03929901,0.00051706);(67.08982849,0.00052819);(73.02912903,0.00098108);(74.14582062,0.00070658);(75.74667358,0.00054012);(77.03928375,0.00047224);(77.43484497,0.00042825);(85.07674408,0.00060776);(86.06072235,0.00102601);(89.03900146,0.00048599);(90.56298828,0.00043502);(91.0549469,0.00252287);(98.97602081,0.00070828);(99.41415405,0.0005131);(110.0715942,0.00055769);(111.0919418,0.00076954);(113.1079178,0.00057681);(115.0546036,0.00301075);(116.9723816,0.00060633);(117.0701828,0.05981324);(118.0735931,0.00111321);(119.0491333,0.00067906);(120.080986,0.000847);(121.065239,0.00056838);(123.0440369,0.00053008);(125.1075745,0.00045562);(135.0441742,0.00560214);(135.0804596,0.00399483);(137.0597992,0.07512359);(137.0824432,0.00257621);(138.0632324,0.00066987);(142.7673492,0.00058171);(145.0649109,0.33924423);(145.1244965,0.00050513);(146.0681458,0.00628731);(150.0793457,0.00048899);(151.07547,0.02124947);(152.016571,0.00212019);(155.0606689,0.00096414);(162.0921021,0.00056688);(163.0078888,0.00066673);(163.0755463,0.79250586);(163.0977325,0.01035999);(163.1463165,0.00065338);(164.0787659,0.01585167);(174.9727631,0.00057037);(178.0228424,0.00268194);(179.7040558,0.00047162);(180.0384369,0.00653982);(180.1021118,1.0);(180.1494446,0.00960945);(180.1840973,0.00074355);(181.0974731,0.00079884);(181.1052856,0.0202065);(181.1447754,0.00473148)
LC-MS/MSLC-ESI-QPositivemediumView Spectrum(117.07,0.06);(137.06,0.075);(145.065,0.339);(151.075,0.021);(163.076,0.793);(163.098,0.01);(164.079,0.016);(180.102,1.0);(180.149,0.01);(181.105,0.02)
LC-MS/MSLC-ESI-FTPositivehighView Spectrum(50.125,0.00038909);(50.843,0.00043336);(51.368,0.00054454);(51.477,0.00047029);(52.167,0.00055981);(52.483,0.00037357);(52.578,0.00041744);(53.286,0.00037442);(55.018,0.00224062);(55.058,0.00044192);(55.263,0.00044268);(55.328,0.00041564);(55.463,0.0005036);(56.965,0.11624766);(56.968,0.00095101);(58.198,0.00040732);(60.741,0.0004539);(61.716,0.00053178);(62.607,0.0004757);(63.023,0.00050024);(63.492,0.00041778);(63.832,0.00042646);(66.031,0.00046875);(67.805,0.00040615);(68.427,0.00047936);(69.249,0.00044073);(69.463,0.00041477);(69.577,0.00044041);(73.115,0.00038138);(73.322,0.00040645);(75.835,0.00039762);(78.047,0.00045033);(79.054,0.01034813);(79.379,0.00047669);(81.071,0.00040595);(81.589,0.00040424);(82.651,0.00042219);(83.116,0.0004011);(84.674,0.00050665);(84.962,0.00043963);(85.685,0.00041536);(86.497,0.00042726);(88.515,0.00045981);(90.025,0.00041763);(91.054,0.07937542);(91.055,0.00402901);(91.116,0.00045683);(91.904,0.00055827);(92.159,0.00050055);(92.703,0.00050222);(93.07,0.00052191);(94.383,0.00043398);(95.049,0.00067516);(95.086,0.00047932);(95.919,0.00044362);(97.991,0.01849241);(97.992,0.00272378);(98.147,0.00044991);(99.563,0.00048922);(102.047,0.00114922);(102.217,0.00043469);(103.054,0.00095438);(103.94,0.00041731);(104.165,0.00042237);(105.07,0.03630227);(107.049,0.02512517);(107.057,0.00049878);(107.06,0.00103921);(107.085,0.00230612);(107.086,0.00213068);(108.186,0.00043463);(109.065,0.00747268);(110.234,0.00043226);(111.392,0.00042656);(115.054,0.19164735);(115.055,0.00874362);(115.062,0.00064791);(116.002,0.022562);(116.003,0.00297442);(116.061,0.00046672);(116.062,0.00279637);(117.07,1.0);(117.071,0.04313084);(119.049,0.02120837);(119.05,0.00080473);(119.773,0.000443);(122.233,0.00051099);(123.044,0.01352762);(125.277,0.00041632);(127.054,0.01149567);(127.056,0.00049893);(130.041,0.00054632);(133.065,0.01880962);(134.012,0.01118341);(134.013,0.00477807);(134.036,0.00047895);(134.096,0.00153868);(134.097,0.00068382);(135.044,0.02068633);(135.054,0.000562);(135.055,0.00135194);(135.08,0.02445843);(135.081,0.00798732);(137.049,0.00078071);(137.06,0.06829467);(137.061,0.00273002);(145.065,0.79980609);(145.066,0.03373045);(145.306,0.00049602);(148.052,0.01187509);(148.053,0.00054344);(151.062,0.00114356);(151.063,0.00535643);(151.064,0.00061027);(151.075,0.01009041);(151.076,0.04471658);(152.279,0.00048775);(155.06,0.00752569);(155.061,0.02311511);(155.062,0.00161197);(158.33,0.0004309);(161.061,0.00051935);(163.076,0.22907375);(163.077,0.01099031);(167.593,0.00047715);(167.655,0.00049046);(168.65,0.00043329);(172.498,0.00043887);(173.453,0.0015632);(179.312,0.00048182);(180.102,0.02221243);(180.104,0.00115993);(183.66,0.00048109);(183.681,0.00038912)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(27.0234751,0.0329456686);(42.03437413,0.0846063745);(44.05002419,0.2381954796);(56.05002419,0.0422543101);(58.06567426,0.050801889);(72.08132432,0.0587055058);(94.06567426,0.0402832841);(109.0289544,0.0739298978);(120.0813243,0.0419381252);(123.0446045,0.3745939241);(133.0289544,0.0387695419);(133.0653399,0.0483072765);(135.0446045,0.3900279626);(136.0762389,0.0530170148);(137.0602545,1.36864078);(138.091889,0.0570798782);(139.0759046,0.0355764106);(145.0653399,0.0500948275);(147.0446045,0.0337503169);(148.0762389,0.0997429526);(149.0602545,0.4122482056);(150.0555035,0.2428020713);(150.091889,0.17368945);(151.0759046,3.369287492);(152.0711536,0.5207025653);(153.0915547,0.1930023397);(154.0868036,0.1108971054);(162.091889,1.60995814);(163.0759046,3.888473681);(164.0711536,0.7779398909);(180.1024537,85.48773764)
Predicted LC-MS/MSNot AvailablePositivemedView Spectrum(44.05002419,2.059676709);(54.03437413,0.4868980213);(56.05002419,1.503663945);(58.06567426,3.285906191);(70.06567426,0.6155602988);(72.08132432,1.4612022);(106.0656743,0.3745237033);(108.0813243,0.5922993384);(109.0289544,0.4505749217);(120.0813243,0.6071264275);(122.0969744,0.5329399456);(123.0446045,0.7952221121);(131.0496898,0.8037782287);(133.0289544,0.7231884097);(133.0653399,0.491350134);(135.0446045,5.285574498);(136.0762389,0.6427977346);(137.0602545,3.89303379);(138.091889,0.5499239609);(145.0653399,0.5047638502);(148.0762389,0.7939175969);(149.0602545,0.4649358389);(150.0555035,1.309963087);(150.091889,4.609458351);(151.0759046,3.080535457);(152.0711536,4.81272405);(154.0868036,0.3987498853);(162.091889,1.329539771);(163.0759046,17.39414293);(164.0711536,1.839528132);(180.1024537,38.30650048)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(27.0234751,1.293642465);(44.05002419,3.102085908);(51.0234751,4.180635544);(53.03912516,3.315676881);(56.05002419,2.580755902);(77.03912516,3.446409353);(79.05477522,3.490022744);(92.05002419,1.755153182);(93.07042529,2.479777882);(94.06567426,3.68714517);(105.0704253,1.680489644);(106.0656743,6.087162495);(107.0860754,1.311553007);(108.0813243,4.053175911);(109.0289544,3.243684067);(119.0496898,2.414107115);(120.0813243,4.682289226);(122.0969744,1.496890239);(123.0446045,5.293096556);(124.1126244,1.359129295);(133.0653399,2.419159159);(134.0605889,1.96240364);(135.0446045,5.196791516);(137.0602545,5.300321105);(146.0605889,5.146198111);(147.0446045,2.561971057);(151.0759046,1.760683594);(162.091889,3.409907901);(163.0759046,3.219787726);(164.0711536,6.643867775);(180.1024537,1.42602583)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(17.00273965,0.1682632145);(28.01872406,0.2720434972);(41.00273965,0.1083372344);(42.03437413,0.0679573136);(43.01838972,0.0195984527);(44.05002419,0.0361775787);(52.01872406,0.035884273);(54.03437413,0.0294200213);(56.05002419,0.2918344891);(64.01872406,0.01151401);(68.05002419,0.0135305023);(70.06567426,0.5469221146);(106.0656743,0.0893010205);(107.0133043,0.0342585588);(118.0656743,0.1029181019);(120.0813243,0.280711525);(121.0289544,0.0269851065);(122.0969744,0.0602213579);(132.0449388,0.0123967402);(133.0289544,0.0336669388);(134.0605889,0.0461154925);(135.0446045,0.2484300874);(136.0762389,0.292490676);(146.0605889,0.0240913561);(147.0446045,0.0473150656);(148.0762389,0.1377016156);(149.0602545,0.8094209104);(160.0762389,0.7827422233);(161.0602545,1.271507123);(162.0555035,0.3848688655);(178.0868036,93.71337453)
Predicted LC-MS/MSNot AvailableNegativemedView Spectrum(15.0234751,0.2016179213);(16.01872406,1.118709235);(17.00273965,0.0667796481);(28.01872406,0.1142743514);(40.01872406,0.513364943);(41.00273965,0.1878331009);(42.03437413,0.3852154252);(44.05002419,0.2499194437);(54.03437413,0.0983780686);(56.05002419,0.0795439912);(68.05002419,0.1033279894);(70.06567426,0.3858317662);(104.0500242,0.0949910435);(106.0656743,0.4128046496);(118.0656743,0.7615096133);(120.0813243,1.139742866);(122.0969744,0.524050956);(132.0449388,0.1766000041);(134.0605889,0.634025806);(136.0762389,1.53635227);(137.0602545,0.0952813833);(146.0605889,0.4494258464);(148.0398534,0.3020209226);(148.0762389,0.3922982223);(149.0602545,0.0644184785);(150.0555035,0.2752270001);(152.0711536,0.1890480209);(160.0762389,2.195092756);(161.0602545,0.1184161085);(162.0555035,2.025362448);(178.0868036,85.10853572)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(28.01872406,1.284488475);(40.01872406,4.104432314);(41.00273965,3.487256069);(42.03437413,4.305364007);(44.05002419,2.0692207);(54.03437413,2.931228561);(56.05002419,1.967832754);(64.01872406,1.17369189);(68.05002419,6.48106279);(70.06567426,8.924744553);(92.05002419,2.326769856);(94.06567426,1.126900231);(104.0500242,1.522452029);(106.0656743,2.576622249);(107.0133043,5.063509874);(109.0289544,1.039295023);(118.0656743,2.021931464);(120.0449388,2.75497695);(120.0813243,1.885743308);(132.0449388,1.951624146);(134.0605889,3.428553786);(135.0446045,1.606592846);(136.0762389,3.135655178);(144.0449388,3.473306467);(146.0605889,1.097190863);(148.0398534,2.548617628);(148.0762389,1.983883396);(150.0555035,1.910007747);(160.0762389,4.161659945);(162.0555035,12.77854498);(178.0868036,4.876839924)
Predicted LC-MS/MSNot AvailableNegativelowView Spectrum(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0)
Predicted LC-MS/MSNot AvailableNegativemediumView Spectrum(122.09752,4.88);(135.04515,6.99);(135.04515,6.99);(135.04515,6.99);(160.07679,5.13);(160.07679,5.13);(176.0717,9.85);(176.0717,9.85);(176.0717,9.85);(176.0717,9.85);(176.0717,9.85);(176.0717,9.85);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0);(178.08735,100.0)
Predicted LC-MS/MSNot AvailableNegativehighView Spectrum(176.0717,100.0);(176.0717,100.0);(176.0717,100.0);(176.0717,100.0);(176.0717,100.0);(176.0717,100.0)
Predicted LC-MS/MSNot AvailablePositivelowView Spectrum(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0)
Predicted LC-MS/MSNot AvailablePositivemediumView Spectrum(108.08078,3.59);(108.08078,3.59);(108.08078,3.59);(108.08078,3.59);(122.09643,13.97);(122.09643,13.97);(122.09643,13.97);(122.09643,13.97);(122.09643,13.97);(122.09643,13.97);(124.11208,4.75);(124.11208,4.75);(124.11208,4.75);(124.11208,4.75);(124.11208,4.75);(124.11208,4.75);(124.11208,4.75);(134.09643,6.54);(134.09643,6.54);(135.04406,10.94);(135.04406,10.94);(135.04406,10.94);(135.04406,10.94);(135.04406,10.94);(135.04406,10.94);(137.05971,7.06);(137.05971,7.06);(137.05971,7.06);(137.05971,7.06);(137.05971,7.06);(137.05971,7.06);(137.05971,7.06);(152.10699,8.56);(152.10699,8.56);(152.10699,8.56);(152.10699,8.56);(162.09134,10.68);(162.09134,10.68);(162.09134,10.68);(162.09134,10.68);(162.09134,10.68);(162.09134,10.68);(162.09134,10.68);(162.09134,10.68);(162.09134,10.68);(163.07536,5.08);(163.07536,5.08);(163.07536,5.08);(163.07536,5.08);(163.07536,5.08);(178.08626,5.46);(178.08626,5.46);(178.08626,5.46);(178.08626,5.46);(178.08626,5.46);(178.08626,5.46);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0);(180.10191,100.0)
Predicted LC-MS/MSNot AvailablePositivehighView Spectrum(42.03383,37.46);(44.04948,92.45);(55.01784,19.52);(56.04948,19.09);(58.06513,28.4);(65.03858,84.69);(65.03858,84.69);(77.03858,76.42);(77.03858,76.42);(79.05423,71.29);(91.05423,18.03);(91.05423,18.03);(93.03349,32.81);(93.06988,17.97);(94.06513,23.25);(94.06513,23.25);(94.06513,23.25);(94.06513,23.25);(94.06513,23.25);(94.06513,23.25);(94.06513,23.25);(106.06513,40.25);(106.06513,40.25);(106.06513,40.25);(108.08078,100.0);(108.08078,100.0);(108.08078,100.0);(108.08078,100.0);(109.02841,37.7);(109.02841,37.7);(109.06479,23.45);(117.03349,94.42);(117.03349,94.42);(119.04914,26.75);(119.04914,26.75);(120.08078,30.91);(120.08078,30.91);(120.08078,30.91);(120.08078,30.91);(120.08078,30.91);(120.08078,30.91);(120.08078,30.91);(121.06479,19.87);(121.06479,19.87);(121.06479,19.87);(122.09643,28.63);(122.09643,28.63);(122.09643,28.63);(122.09643,28.63);(122.09643,28.63);(122.09643,28.63);(131.04914,17.44);(131.04914,17.44);(135.04406,47.95);(135.04406,47.95);(135.04406,47.95);(135.04406,47.95);(135.04406,47.95);(135.04406,47.95);(137.05971,50.01);(137.05971,50.01);(137.05971,50.01);(137.05971,50.01);(137.05971,50.01);(137.05971,50.01);(137.05971,50.01);(149.05971,18.18);(149.05971,18.18);(149.05971,18.18);(149.05971,18.18);(149.05971,18.18);(149.05971,18.18);(149.05971,18.18);(150.05495,33.77);(150.05495,33.77);(150.09134,33.97);(150.09134,33.97);(150.09134,33.97);(151.07536,20.27);(151.07536,20.27);(151.07536,20.27);(162.09134,24.27);(162.09134,24.27);(162.09134,24.27);(162.09134,24.27);(162.09134,24.27);(162.09134,24.27);(162.09134,24.27);(162.09134,24.27);(162.09134,24.27);(164.0706,19.75);(164.0706,19.75);(164.0706,19.75);(164.0706,19.75);(164.0706,19.75);(164.0706,19.75);(164.0706,19.75)

Food Sources

NameGroup
BananaFruit, Tropical fruitsShow

Role as Biomarker of intake

No roles as Biomarker of intake found

Metabolism

Food PhytochemicalMetaboliteSpeciesBiofluidsOriginTMaxCMaxUrinary ExcretionFormulaMonoisotopic mass
(-)-Salsolinol Salsolinol-sulfatehumanurinehost metabolismNot AvailableNot AvailableNot AvailableC10H13NO5S259.051443697 Publications

Inter-Individual Variations in Metabolism

Food PhytochemicalMetaboliteEffectValue
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