PhytoHub: Showing entry for Hordenine

Hordenine

Identification

PhytoHub ID

PHUB000778

Name

Hordenine

Systematic Name

Not Available

Synonyms

4-(2-Dimethylamino)ethylphenol
N,N-Dimethyltyramine

CAS Number

Not Available

Average Mass

165.236

Monoisotopic Mass

165.115364107

Chemical Formula

C₁₀H₁₅NO

IUPAC Name

4-[2-(dimethylamino)ethyl]phenol

InChI Key

KUBCEEMXQZUPDQ-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3

SMILES

CN(C)CCC1=CC=C(O)C=C1

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.97e+01 g/l
LogS (ALOGPS): -0.75
LogP (ALOGPS): 1.76
Hydrogen Acceptors: 2
Hydrogen Donors: 1
Rotatable Bond Count: 3
Polar Surface Area: 23.47
Refractivity: 51.336600000000004
Polarizability: 19.353187585007067
Formal Charge: 0
Physiological Charge: 1
pKa (strongest basic): 9.187739518335258
pKa (strongest acidic): 10.308363804255436
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: Yes
MDDR-like Rule: No

External Links

ChEBI: 5764
PubChem: 68313
Chemistry Dashboard: DTXSID2046096
KNApSAcK: C00001417
MetaboLights: MTBLC5764
FooDB (Compounds): FDB012750
PeakForestCompound: 000603

Taxonomy as Food Phytochemical

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

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Benzene and substituted derivatives
Super-class: Benzenoids
Sub-class: Phenethylamines
Direct Parent Name: Phenethylamines
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "Aralkylamines", "Hydrocarbon derivatives", "Organooxygen compounds", "Organopnictogen compounds", "Trialkylamines"]
External Descriptor Annotations: ["Tyramine derivatives", "phenethylamine alkaloid"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "Amine", "Aralkylamine", "Aromatic homomonocyclic compound", "Hydrocarbon derivative", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenethylamine", "Phenol", "Tertiary aliphatic amine", "Tertiary amine"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(15.02292522,0.6950413172);(30.03382302,0.77164579);(42.03382302,4.406726084);(43.04164762,0.8962600467);(44.04947222,5.616796183);(45.05729682,1.888225761);(46.06512142,1.337704281);(57.05729682,1.065409712);(58.06512142,40.52071882);(59.06796386,1.558361887);(59.07294602,1.176183694);(60.08077062,1.434873527);(93.06987282,1.0504947);(94.04131312,1.790643072);(106.0413131,1.709188894);(107.0491377,10.34391825);(108.0525356,0.8252634265);(108.0569623,1.235814385);(108.0807706,0.9339250367);(109.0647869,0.9952404318);(120.0569623,2.142595543);(121.0647869,3.701936213);(122.0726115,0.9149783864);(122.0964198,0.6683621877);(123.0804361,0.6834510018);(136.112069,1.312710613);(147.1042444,0.6540852637);(150.0913339,2.390113617);(163.0991585,0.7254426428);(164.1069831,3.635739295);(165.1148077,2.918149936)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(15.02292522,0.6244190138);(42.03382302,0.7915855923);(44.04947222,2.092060276);(45.05729682,1.469195025);(46.06512142,0.7846358328);(57.05729682,0.6590213189);(58.06512142,33.79633587);(59.06796386,1.299752899);(73.04679982,5.056455413);(75.02606472,0.8815956768);(107.0491377,0.6778649911);(108.0807706,0.691367193);(134.0964198,0.9522518591);(136.112069,2.142671519);(151.0573631,0.9301524843);(163.0573631,1.178699013);(164.1069831,1.444109803);(165.0730123,1.608224766);(165.1148077,1.510960926);(166.0808369,0.6466068937);(166.1226323,0.6958456476);(177.0730123,0.6146428732);(179.0886615,2.466242924);(180.0964861,0.7934327947);(192.0964861,0.6681765717);(193.1043107,2.10313104);(221.1230331,0.698105969);(222.1308577,5.061773104);(223.1331407,0.9719267666);(236.1465069,1.834835707);(237.1543315,0.6811374904)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(30.03382302,0.7728972561);(42.03382302,3.837370248);(44.04947222,5.043211035);(45.05729682,1.751034463);(46.06512142,1.21686106);(57.05729682,0.8638601668);(58.06512142,42.75894759);(59.06796386,1.644440577);(59.07294602,1.1976804);(60.08077062,1.265120945);(79.05422362,1.047433797);(94.04131312,1.218186075);(106.0413131,1.223688687);(107.0491377,3.770553138);(108.0569623,1.2093881);(109.0647869,0.8128963997);(120.0569623,1.164156316);(121.0647869,2.546620155);(136.112069,0.8930455293);(150.0913339,1.72764016);(164.1069831,2.424957694);(165.1148077,1.699168138)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(30.03382302,0.7728972561);(42.03382302,3.837370248);(44.04947222,5.043211035);(45.05729682,1.751034463);(46.06512142,1.21686106);(57.05729682,0.8638601668);(58.06512142,42.75894759);(59.06796386,1.644440577);(59.07294602,1.1976804);(60.08077062,1.265120945);(79.05422362,1.047433797);(94.04131312,1.218186075);(106.0413131,1.223688687);(107.0491377,3.770553138);(108.0569623,1.2093881);(109.0647869,0.8128963997);(120.0569623,1.164156316);(121.0647869,2.546620155);(136.112069,0.8930455293);(150.0913339,1.72764016);(164.1069831,2.424957694);(165.1148077,1.699168138)
LC-MS/MS	QqQ	positive	Not Available	View Spectrum	(77.0,25.0);(91.0,25.0);(103.0,25.0);(121.0,25.0)
LC-MS/MS	LC-ESI-QTOF	positive	low	View Spectrum	(77.0409,1.380670611);(93.0705,2.909270217);(94.0793,0.5424063116);(103.0502,1.084812623);(103.0604,0.4930966469);(121.0652,49.30966469);(122.0667,4.240631164);(166.1021,0.5424063116);(166.1223,38.90532544);(166.1421,0.5917159763)
LC-MS/MS	LC-ESI-QTOF	positive	low	View Spectrum	(77.0403,16.99390657);(77.0892,1.038140375);(78.0433,1.6023471);(78.0478,0.8801624915);(79.0554,1.760324983);(91.0465,1.399232679);(91.0548,22.56826901);(92.0529,1.083276913);(93.0665,4.265402844);(93.0736,5.461521101);(93.9875,0.9252990296);(94.2842,0.9252990296);(95.0512,1.466937486);(103.0385,0.8801624915);(103.0531,8.327691266);(104.0587,2.189122094);(121.0646,17.9869104);(121.0708,5.25840668);(122.068,2.866170165);(124.7892,2.121417287)
LC-MS/MS	LC-ESI-QTOF	positive	low	View Spectrum	(77.041,15.66326531);(91.0532,33.31632653);(121.0638,51.02040816)
LC-MS/MS	LC-ESI-QTOF	positive	low	View Spectrum	(77.0409,1.390395425);(93.0705,2.918844295);(94.0793,0.5374223449);(103.0502,1.07977517);(103.0604,0.4930480229);(121.0652,49.30480229);(122.0667,4.264865398);(166.1021,0.5226309043);(166.1223,38.90641949);(166.1421,0.581796667)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(121.0647,4.306220096);(166.1227,95.6937799)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(121.0648,5.123339658);(166.1226,94.87666034)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(121.0648,10.92901042);(166.1228,89.07098958)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(121.0648,24.67043315);(166.1228,75.32956685)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(121.0648,43.17213161);(166.1227,56.82786839)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(121.0648,57.13959202);(166.1226,42.86040798)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(93.0699,0.7375492917);(121.0648,73.02468234);(166.1227,26.23776837)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(93.0699,1.272666778);(121.0648,83.18083514);(166.1227,15.54649809)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(93.0699,1.862579093);(121.0648,89.11861688);(166.1226,9.018804028)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(93.0699,3.903193522);(103.0542,1.237376035);(121.0648,90.98353198);(166.1227,3.875898462)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(91.0542,1.546932354);(93.0699,5.934277224);(103.0542,3.128823632);(121.0648,87.39730816);(166.1226,1.992658626)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,1.071546324);(91.0542,2.571711177);(93.0699,8.333333333);(103.0542,5.596768876);(121.0648,82.42664029)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,1.719517642);(91.0543,4.332291201);(93.0699,11.33690636);(103.0543,8.173291648);(121.0648,74.43799315)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,3.038088509);(91.0543,6.853362451);(93.0699,13.52688034);(103.0542,12.35146766);(121.0648,64.23020104)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,4.737987611);(91.0543,8.544003572);(93.0699,14.85015905);(103.0543,16.06116413);(121.0648,55.80668564)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,7.241109629);(91.0543,9.890969315);(93.0699,15.56332521);(95.0492,0.768275291);(103.0543,20.53181212);(121.0648,46.00450844)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,10.09451937);(91.0542,12.33234953);(93.0699,15.48548586);(95.0491,1.027384466);(103.0542,23.70082564);(121.0648,37.35943513)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,12.821113);(91.0543,14.98039675);(93.0699,14.74340219);(95.0492,1.735034233);(102.0465,0.292585874);(103.0543,26.16888057);(121.0648,29.2585874)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,16.08704554);(91.0543,15.88230132);(93.0699,13.81730966);(95.0491,1.76957501);(102.0464,0.4241130188);(103.0543,29.24917371);(121.0648,22.77048173)
LC-MS/MS	LC-ESI-ITFT	positive	low	View Spectrum	(77.0386,19.75526068);(91.0542,17.08013239);(93.0699,12.24000243);(95.0491,2.517231956);(102.0463,0.5921112562);(103.0542,30.3646798);(121.0648,17.45058148)
LC-MS/MS	n/a	negative	low	View Spectrum	(106.1,88.82111789);(120.2,1.279872013);(164.2,9.899010099)
LC-MS/MS	QqQ	positive	low	View Spectrum	(46.0,1.17);(121.0,9.86);(166.0,88.97)
LC-MS/MS	QqQ	positive	low	View Spectrum	(46.0,4.09);(121.0,52.43);(166.0,43.48)
LC-MS/MS	QqQ	positive	low	View Spectrum	(46.0,1.700170017);(91.0,1.830183018);(93.0,7.910791079);(103.0,2.150215022);(121.0,84.05840584);(166.0,2.350235024)
LC-MS/MS	QqQ	positive	low	View Spectrum	(46.0,1.13);(77.0,4.33);(91.0,6.84);(93.0,16.93);(103.0,7.53);(121.0,63.24)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.068,1.199880012);(84.963,7.059294071);(121.068,8.98910109);(122.072,0.6199380062);(125.99,17.05829417);(166.128,59.7640236);(167.132,5.309469053)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,1.649670066);(84.963,1.809638072);(121.068,13.96720656);(122.071,1.099780044);(125.99,2.899420116);(166.127,72.19556089);(167.131,6.378724255)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,1.84);(84.962,1.28);(121.068,19.94);(122.071,1.35);(125.99,1.19);(166.127,68.51);(167.13,5.89)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,2.99);(77.041,0.6);(84.962,1.08);(93.073,0.58);(121.068,36.51);(122.071,2.39);(166.127,51.1);(167.13,4.75)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,4.059594041);(77.041,0.9099090091);(84.962,0.8399160084);(93.072,1.189881012);(103.057,0.7199280072);(121.068,60.80391961);(122.071,4.449555044);(166.127,24.64753525);(167.13,2.379762024)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,3.14);(77.041,2.21);(91.057,2.0);(93.072,4.77);(103.057,2.65);(121.068,76.01);(122.071,6.05);(166.126,3.17)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,2.450245025);(77.041,3.390339034);(91.057,3.200320032);(93.072,7.410741074);(103.057,4.260426043);(121.068,72.50725073);(122.071,5.600560056);(166.126,1.180118012)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,1.829817018);(77.041,6.579342066);(84.962,0.6299370063);(91.056,6.169383062);(93.072,11.32886711);(94.075,0.7599240076);(103.056,8.099190081);(104.06,0.6099390061);(121.067,59.5240476);(122.07,4.469553045)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,1.55);(77.04,12.19);(78.044,0.7);(84.962,0.55);(91.056,9.9);(92.06,0.62);(93.072,13.59);(94.075,0.89);(103.056,13.24);(104.06,1.01);(121.067,42.6);(122.07,3.16)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,1.340268054);(51.024,0.5201040208);(55.02,0.4200840168);(58.067,0.350070014);(77.04,17.4434887);(78.044,1.030206041);(84.962,0.50010002);(91.056,12.4324865);(92.06,0.8401680336);(93.072,13.24264853);(94.075,0.9301860372);(103.056,16.20324065);(104.06,1.190238048);(121.067,31.27625525);(122.07,2.280456091)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,1.25);(51.024,0.77);(55.019,0.47);(58.067,0.35);(65.04,0.43);(77.04,23.63);(78.044,1.37);(84.962,0.46);(91.056,14.06);(92.059,0.93);(93.072,11.96);(94.075,0.85);(102.048,0.39);(103.056,18.64);(104.059,1.34);(121.067,21.46);(122.07,1.64)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,1.1);(51.024,1.17);(55.019,0.47);(58.067,0.36);(65.04,0.75);(77.04,33.87);(78.044,1.86);(84.962,0.36);(91.056,15.58);(92.059,1.07);(93.072,8.97);(94.075,0.67);(102.049,0.54);(103.056,19.63);(104.06,1.41);(121.067,11.28);(122.07,0.91)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.067,1.03);(51.024,1.98);(55.019,0.49);(65.04,1.22);(77.04,44.09);(78.044,2.54);(91.056,15.82);(92.059,1.05);(93.072,5.72);(94.075,0.46);(102.048,0.73);(103.056,17.59);(104.059,1.3);(121.067,5.49);(122.07,0.49)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.066,0.9799020098);(51.024,2.909709029);(55.019,0.5099490051);(65.04,1.669833017);(77.04,49.27507249);(78.044,2.96970303);(91.056,14.97850215);(92.059,0.99990001);(93.071,4.229577042);(94.043,0.5499450055);(102.048,0.8499150085);(103.056,15.56844316);(104.059,1.129887011);(121.066,3.379662034)
LC-MS/MS	QTOF	positive	low	View Spectrum	(46.066,0.8600860086);(51.024,6.340634063);(65.04,3.060306031);(77.04,57.92579258);(78.044,3.630363036);(91.055,12.81128113);(92.059,0.8900890089);(93.071,1.640164016);(94.043,0.8600860086);(102.048,0.9800980098);(103.056,9.340934093);(104.059,0.7600760076);(121.066,0.900090009)
LC-MS/MS	QTOF	positive	low	View Spectrum	(39.024,1.14);(41.04,0.71);(46.066,0.77);(51.024,12.39);(65.04,4.69);(77.04,58.93);(78.044,3.7);(91.055,10.15);(92.059,0.72);(94.043,1.14);(102.048,0.97);(103.056,4.69)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(121.0649,9.68);(166.1227,90.32)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(121.0649,42.79);(166.1227,57.21)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(121.0648,77.95);(166.1227,22.05)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(93.0698,1.82);(121.0649,92.67);(166.1227,5.51)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(91.0541,3.25);(93.0697,8.45);(103.0542,5.49);(121.0648,82.81)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(77.0384,3.01030103);(91.0541,10.59105911);(93.0698,15.00150015);(95.049,1.99019902);(103.0542,17.39173917);(121.0649,52.01520152)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(51.0228,0.5398920216);(53.0384,0.299940012);(55.0177,0.3799240152);(58.065,0.3799240152);(65.0384,0.3699260148);(77.0384,8.158368326);(91.0541,17.99640072);(93.0698,13.82723455);(95.049,5.24895021);(102.0464,0.4899020196);(103.0542,28.07438512);(121.0649,24.23515297)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0149,0.67);(51.0228,1.75);(53.0384,0.64);(55.0177,0.4);(58.0649,0.41);(65.0384,1.31);(77.0384,15.61);(78.0462,0.53);(91.0541,21.29);(93.0698,8.47);(94.0412,0.5);(95.049,9.43);(102.0464,0.99);(103.0542,29.19);(121.0649,8.81)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0149,2.730546109);(51.0227,6.621324265);(53.0384,1.050210042);(55.0176,0.400080016);(58.0649,0.4700940188);(65.0384,3.770754151);(77.0384,25.085017);(78.0462,1.160232046);(91.0541,19.78395679);(93.0698,2.940588118);(94.0412,1.400280056);(95.049,12.94258852);(102.0464,1.480296059);(103.0542,17.77355471);(106.0417,0.25005001);(119.0493,0.2600520104);(121.0649,1.880376075)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0149,7.189281072);(51.0227,16.22837716);(53.0384,1.309869013);(55.0177,0.3899610039);(58.0649,0.3799620038);(65.0384,7.01929807);(66.0462,0.5399460054);(77.0133,0.399960004);(77.0384,26.51734827);(78.0462,1.599840016);(91.0541,14.67853215);(93.0698,0.7299270073);(94.0412,2.01979802);(95.049,12.01879812);(102.0464,1.549845015);(103.0542,7.079292071);(121.065,0.3499650035)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0149,14.72);(51.0227,33.3);(53.0384,1.06);(55.0176,0.44);(63.0227,0.66);(65.002,0.39);(65.0384,8.89);(66.0462,1.31);(75.0227,0.53);(77.0132,0.94);(77.0383,18.57);(78.0462,1.67);(91.0541,6.51);(94.0412,1.68);(95.049,6.81);(102.0463,1.24);(103.0542,1.28)
LC-MS/MS	n/a	positive	low	View Spectrum	(121.0649,100.0)
LC-MS/MS	n/a	positive	low	View Spectrum	(77.0,0.99);(91.0,5.57);(93.0,86.85);(103.0,6.59)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.06522,42.3);(122.06697,2.4);(166.12343,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.04146,70.4);(91.04993,28.2);(103.05512,100.0);(137.06238,28.2);(166.10992,47.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(91.04259,1.4);(91.0527,3.2);(93.06894,10.3);(103.05265,9.1);(121.06454,100.0);(122.06824,6.2);(123.06941,1.6);(166.12198,56.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(76.97727,4.9);(77.04099,54.5);(78.03837,10.6);(91.05719,20.6);(93.06679,25.7);(103.05425,51.2);(104.05239,9.8);(119.05006,10.3);(121.06506,100.0);(122.07309,18.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(46.06524,4.1);(77.03861,1.4);(91.05378,1.2);(93.06983,2.2);(103.05412,1.6);(121.06473,100.0);(166.12256,33.9)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(106.04189,68.8);(164.10767,100.0)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(77.04036,2.2);(80.62323,1.1);(106.04175,100.0);(135.04875,2.7);(164.10629,2.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(46.0653,1.2);(51.02267,11.9);(53.03895,1.3);(55.01731,1.8);(58.0657,1.4);(65.03895,5.5);(77.03876,100.0);(78.04611,1.7);(91.05449,22.3);(93.06951,4.3);(94.04047,1.8);(102.04618,1.4);(103.05478,15.3);(121.06513,1.2)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(46.06506,2.9);(55.01747,1.6);(58.06516,1.3);(77.03862,20.1);(91.05417,11.6);(93.06972,21.8);(103.05423,19.0);(121.06479,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.04094,2.8);(93.07047,5.9);(94.0793,1.1);(103.05019,2.2);(121.0652,100.0);(122.06667,8.6);(166.12234,78.9)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.06349,100.0);(166.12285,29.4)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(119.05125,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.0649,40.8);(122.07053,2.7);(166.12263,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.0403,75.3);(78.04333,7.1);(79.05537,7.8);(91.05478,100.0);(92.05287,4.8);(93.0736,24.2);(93.98746,4.1);(95.05118,6.5);(103.05309,36.9);(104.05873,9.7);(121.0646,79.7);(122.06803,12.7);(124.78915,9.4)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(76.15932,2.3);(77.0396,62.8);(78.041,6.5);(91.05622,14.5);(92.05965,6.6);(93.07189,19.3);(103.05432,43.0);(104.05444,2.9);(120.21504,3.3);(121.06509,100.0);(122.07617,6.2);(123.78587,4.0);(124.55683,3.6)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(121.0646,37.8);(122.06756,4.2);(166.12328,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.04104,30.7);(91.05322,65.3);(121.06383,100.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(77.04253,1.2);(91.05339,1.8);(93.07297,6.8);(103.0574,3.1);(104.05598,1.4);(121.06488,100.0);(122.06798,13.5);(166.12312,62.3)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(44.05002419,0.1633138507);(46.06567426,0.6040113312);(55.01838972,0.0774853864);(60.08132432,0.1233333531);(69.03403978,0.0656427813);(70.06567426,0.1425516965);(72.08132432,0.8586036692);(81.03403978,0.0903777574);(83.04968984,0.1176961915);(84.08132432,0.0842948739);(86.09697438,0.1144556309);(91.05477522,0.0637366179);(94.06567426,0.089053495);(95.04968984,0.5892271114);(96.08132432,0.1201723186);(98.09697438,0.0749208466);(103.0547752,0.2029926609);(107.0496898,0.4835077357);(112.1126244,0.0925824358);(120.0813243,0.1124336834);(121.0653399,18.88029073);(122.0969744,0.1012127412);(123.08099,1.839488825);(124.1126244,0.1117187405);(134.0969744,0.228084428);(136.1126244,0.4461206724);(138.091889,0.1294789055);(140.1075391,0.0987616998);(148.1126244,1.647910348);(150.091889,1.243917153);(166.1231891,71.00262233)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(44.05002419,0.5970265025);(46.06567426,0.8738129553);(60.08132432,1.009399854);(65.03912516,0.3256526886);(70.06567426,0.3886282906);(72.08132432,2.370409194);(77.03912516,0.3049635582);(79.05477522,1.232751737);(81.03403978,0.3003632081);(83.04968984,0.3706501011);(89.03912516,0.4560129227);(91.05477522,0.7745085075);(95.04968984,1.808502852);(96.08132432,0.5404546343);(97.06533991,0.3454691839);(103.0547752,1.401001041);(107.0496898,2.743960892);(108.0813243,0.3454073754);(110.0969744,0.6276508208);(112.1126244,0.2962961869);(120.0813243,0.9813784115);(121.0653399,35.65164264);(122.0969744,1.477896237);(123.08099,1.053938058);(124.1126244,1.494736829);(134.0969744,0.5234914805);(136.1126244,1.503314658);(138.091889,0.3031092062);(148.1126244,1.847123295);(150.091889,2.108547164);(166.1231891,35.94189952)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(44.05002419,2.227562084);(46.06567426,1.746380027);(51.0234751,6.054708511);(53.03912516,3.665241589);(56.05002419,0.5928994481);(60.08132432,1.191225557);(65.03912516,4.643521529);(67.05477522,1.054317859);(70.06567426,1.889662699);(72.08132432,2.21427304);(77.03912516,8.335158227);(79.01838972,2.127392137);(79.05477522,5.382072964);(81.03403978,1.825044079);(89.03912516,4.099450597);(91.05477522,7.310348506);(93.07042529,1.347071846);(94.06567426,1.339129729);(95.04968984,2.932318752);(96.08132432,1.209598777);(103.0547752,6.145743241);(105.0704253,1.629408327);(107.0496898,9.348497986);(120.0813243,1.264209469);(121.0653399,14.21848711);(123.08099,1.077779144);(132.0813243,0.616377937);(134.0969744,0.5830352869);(136.1126244,0.8006655881);(148.1126244,1.747029241);(150.091889,1.381388715)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.2750195749);(17.00273965,0.1440973799);(28.01872406,0.2765788296);(41.00273965,0.0700991926);(42.03437413,0.2376050663);(44.05002419,2.623829165);(58.06567426,0.1795017262);(67.01838972,0.0471828491);(70.06567426,0.0226553542);(81.03403978,0.0209385731);(84.08132432,0.0209385731);(86.09697438,0.01034847);(93.03403978,0.0893635504);(96.08132432,0.0268407287);(101.0391252,0.013019733);(103.0547752,0.0323063177);(105.0340398,0.319472793);(106.0656743,0.0109016708);(108.0813243,0.0137672538);(110.0969744,0.021002989);(119.0496898,1.672991488);(120.0813243,0.0153096817);(121.0653399,1.113237414);(122.0969744,0.0393602568);(132.0813243,0.081061779);(134.0969744,0.1635086892);(136.0762389,0.0117888187);(138.091889,0.0806077509);(146.0969744,0.7166940307);(148.0762389,0.6734800451);(164.1075391,90.97649026)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(15.0234751,0.344190178);(17.00273965,0.1141241774);(28.01872406,0.8489514731);(41.00273965,0.0707342169);(42.03437413,2.140432396);(44.05002419,6.36277274);(58.06567426,1.548923918);(67.01838972,0.069999721);(70.06567426,0.1507009443);(81.03403978,0.1414117032);(84.08132432,0.1414117032);(93.03403978,0.4711433647);(96.08132432,0.1349587204);(103.0547752,0.2362907913);(105.0340398,1.616826305);(106.0656743,0.1352736489);(108.0813243,0.1030375533);(110.0969744,0.1453772077);(118.0656743,0.1776737439);(119.0496898,4.871223992);(120.0813243,0.28272743);(121.0653399,2.875144518);(122.0969744,0.5400742577);(132.0813243,0.8234109716);(134.0605889,0.0686014394);(134.0969744,0.529771737);(136.0762389,0.1642246564);(138.091889,0.3082323155);(146.0969744,1.383630472);(148.0762389,2.70802171);(164.1075391,70.49070199)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(15.0234751,1.282949537);(28.01872406,5.108785212);(30.03437413,0.7198131648);(41.00273965,0.8589313901);(42.03437413,7.345895173);(44.05002419,12.34596778);(58.06567426,12.7096206);(63.0234751,0.8602517184);(68.05002419,1.320568191);(70.06567426,1.005673033);(75.0234751,0.849212745);(77.03912516,1.397887709);(89.03912516,1.644925776);(91.05477522,1.135715614);(93.03403978,6.085829122);(95.04968984,1.142582825);(96.08132432,0.8214745121);(101.0391252,1.947257931);(103.0547752,2.346126093);(105.0340398,9.178457958);(118.0656743,0.6843814417);(119.0496898,8.75757742);(120.0813243,0.5663272015);(121.0653399,7.379620654);(122.0969744,1.026478507);(132.0813243,1.030593646);(134.0969744,0.9833373557);(138.091889,0.8868794726);(146.0969744,0.9254043518);(148.0762389,3.016253516);(164.1075391,4.635220342)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(164.10809,100.0);(164.10809,100.0);(164.10809,100.0);(164.10809,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(93.03459,7.08);(93.03459,7.08);(93.03459,7.08);(93.03459,7.08);(107.05024,9.06);(107.05024,9.06);(107.05024,9.06);(119.05024,15.85);(119.05024,15.85);(119.05024,15.85);(119.05024,15.85);(121.06589,24.14);(121.06589,24.14);(121.06589,24.14);(121.06589,24.14);(164.10809,100.0);(164.10809,100.0);(164.10809,100.0);(164.10809,100.0)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,4.7);(42.03492,6.36);(44.05057,4.51);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(93.03459,100.0);(101.03967,9.27);(107.05024,5.43);(107.05024,5.43);(107.05024,5.43);(117.03459,11.39);(119.05024,93.54);(119.05024,93.54);(119.05024,93.54);(119.05024,93.54);(121.06589,8.84);(121.06589,8.84);(121.06589,8.84);(121.06589,8.84)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(107.04914,4.0);(107.04914,4.0);(107.04914,4.0);(107.04914,4.0);(121.06479,51.28);(121.06479,51.28);(121.06479,51.28);(121.06479,51.28);(166.12264,100.0);(166.12264,100.0);(166.12264,100.0);(166.12264,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(77.03858,33.23);(79.05423,7.87);(79.05423,7.87);(91.05423,11.02);(91.05423,11.02);(93.06988,25.42);(95.04914,13.2);(95.04914,13.2);(95.04914,13.2);(95.04914,13.2);(103.05423,26.01);(107.04914,14.91);(107.04914,14.91);(107.04914,14.91);(107.04914,14.91);(121.06479,100.0);(121.06479,100.0);(121.06479,100.0);(121.06479,100.0)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(44.04948,10.89);(58.06513,13.22);(65.03858,32.17);(65.03858,32.17);(67.05423,8.29);(67.05423,8.29);(72.08078,10.11);(77.03858,54.41);(79.05423,70.37);(79.05423,70.37);(91.05423,100.0);(91.05423,100.0);(95.04914,8.71);(95.04914,8.71);(95.04914,8.71);(95.04914,8.71);(103.05423,10.15);(107.04914,32.58);(107.04914,32.58);(107.04914,32.58);(107.04914,32.58);(121.06479,24.91);(121.06479,24.91);(121.06479,24.91);(121.06479,24.91)

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 Hordenine