PhytoHub: Showing entry for Vanillyl alcohol

Vanillyl alcohol

Identification

PhytoHub ID

PHUB001889

Name

Vanillyl alcohol

Systematic Name

Not Available

Synonyms

4-(hydroxymethyl)-2-methoxyphenol
4-Hydroxy-3-methoxy-benzenemethanol
Vanillic alcohol

CAS Number

498-00-0

Average Mass

154.165

Monoisotopic Mass

154.062994182

Chemical Formula

C₈H₁₀O₃

IUPAC Name

4-(hydroxymethyl)-2-methoxyphenol

InChI Key

ZENOXNGFMSCLLL-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C8H10O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-4,9-10H,5H2,1H3

SMILES

COC1=CC(CO)=CC=C1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 2.94e+01 g/l
LogS (ALOGPS): -0.72
LogP (ALOGPS): 0.50
Hydrogen Acceptors: 3
Hydrogen Donors: 2
Rotatable Bond Count: 2
Polar Surface Area: 49.69
Refractivity: 41.318000000000005
Polarizability: 15.781485564541585
Formal Charge: 0
Physiological Charge: 0
pKa (strongest basic): -2.817579686041258
pKa (strongest acidic): 9.915136507660787
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

ChEBI: 18353
HMDB: HMDB0032012
PeakForestCompound: 000932

Taxonomy as Food Phytochemical

Family: Polyphenols
Class: Miscellaneous polyphenols
Sub-class: Not Available

Taxonomy as Metabolite

Metabolite Family: (Poly)phenol metabolites
Metabolite Class: Miscellaneous polyphenol metabolites
Metabolite Sub-class: Miscellaneous polyphenol metabolites

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Phenols
Super-class: Benzenoids
Sub-class: Methoxyphenols
Direct Parent Name: Methoxyphenols
Alternative Parent Names: ["1-hydroxy-2-unsubstituted benzenoids", "Alkyl aryl ethers", "Anisoles", "Aromatic alcohols", "Benzyl alcohols", "Hydrocarbon derivatives", "Methoxybenzenes", "Phenoxy compounds", "Primary alcohols"]
External Descriptor Annotations: ["a small molecule", "benzyl alcohols", "monomethoxybenzene", "phenols"]
Substituent Names: ["1-hydroxy-2-unsubstituted benzenoid", "Alcohol", "Alkyl aryl ether", "Anisole", "Aromatic alcohol", "Aromatic homomonocyclic compound", "Benzyl alcohol", "Ether", "Hydrocarbon derivative", "Methoxybenzene", "Methoxyphenol", "Monocyclic benzene moiety", "Organic oxygen compound", "Organooxygen compound", "Phenol ether", "Phenoxy compound", "Primary alcohol"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,2.902903);(86.0,0.3003);(87.0,1.901902);(88.0,1.301301);(89.0,21.921922);(90.0,6.406406);(91.0,17.117117);(92.0,2.702703);(93.0,5.305305);(94.0,1.401401);(95.0,4.704705);(96.0,0.800801);(97.0,2.402402);(98.0,1.101101);(99.0,3.603604);(100.0,0.3003);(101.0,0.900901);(102.0,1.501502);(103.0,10.41041);(104.0,7.907908);(105.0,20.42042);(106.0,6.506507);(107.0,12.312312);(108.0,2.702703);(109.0,2.202202);(110.0,0.4004);(111.0,2.402402);(112.0,1.201201);(113.0,0.4004);(115.0,3.003003);(116.0,0.600601);(117.0,2.602603);(118.0,1.801802);(119.0,18.818819);(120.0,2.702703);(121.0,4.804805);(122.0,1.101101);(123.0,2.202202);(124.0,0.3003);(125.0,0.4004);(126.0,0.700701);(127.0,1.001001);(128.0,0.1001);(129.0,0.2002);(131.0,2.402402);(132.0,0.500501);(133.0,8.608609);(134.0,12.812813);(135.0,16.016016);(136.0,10.01001);(137.0,6.006006);(138.0,0.700701);(139.0,0.500501);(140.0,0.1001);(141.0,0.1001);(142.0,0.1001);(143.0,0.3003);(145.0,0.800801);(146.0,0.3003);(147.0,45.245245);(148.0,8.108108);(149.0,38.038038);(150.0,6.706707);(151.0,8.408408);(152.0,1.201201);(153.0,0.900901);(154.0,0.1001);(157.0,0.1001);(159.0,0.3003);(160.0,0.4004);(161.0,5.305305);(162.0,3.603604);(163.0,10.31031);(164.0,4.004004);(165.0,12.912913);(166.0,7.707708);(167.0,3.103103);(168.0,0.600601);(169.0,0.1001);(174.0,0.1001);(175.0,0.700701);(176.0,0.3003);(177.0,4.304304);(178.0,3.103103);(179.0,76.976977);(180.0,16.516517);(181.0,6.606607);(182.0,0.900901);(183.0,0.2002);(189.0,0.2002);(190.0,0.4004);(191.0,2.602603);(192.0,1.701702);(193.0,17.117117);(194.0,11.811812);(195.0,8.108108);(196.0,1.501502);(197.0,1.301301);(198.0,0.1001);(205.0,0.1001);(206.0,0.1001);(207.0,2.002002);(208.0,0.800801);(209.0,100.0);(210.0,17.717718);(211.0,5.705706);(212.0,0.700701);(219.0,0.1001);(221.0,0.2002);(222.0,0.1001);(223.0,4.304304);(224.0,0.900901);(225.0,1.101101);(226.0,0.500501);(227.0,0.1001);(235.0,0.3003);(236.0,0.1001);(237.0,1.301301);(238.0,0.3003);(239.0,0.500501);(240.0,0.1001);(251.0,1.101101);(252.0,0.800801);(253.0,28.928929);(254.0,7.007007);(255.0,6.806807);(256.0,1.401401);(257.0,0.4004);(258.0,0.1001);(259.0,0.1001);(260.0,0.1001);(264.0,0.1001);(265.0,0.3003);(266.0,0.500501);(267.0,40.24024);(268.0,55.655656);(269.0,16.216216);(270.0,5.405405);(271.0,1.001001);(272.0,0.2002);(273.0,0.1001);(274.0,0.1001);(275.0,0.1001);(276.0,0.1001);(277.0,0.1001);(279.0,0.1001);(281.0,0.3003);(282.0,0.3003);(283.0,35.535536);(284.0,10.41041);(285.0,3.803804);(286.0,0.700701);(287.0,0.2002);(288.0,0.1001);(289.0,0.2002);(290.0,0.1001);(291.0,0.2002);(292.0,0.2002);(293.0,0.1001);(294.0,0.1001);(296.0,0.2002);(297.0,15.415415);(298.0,52.952953);(299.0,14.614615);(300.0,5.305305);(301.0,0.900901);(302.0,0.2002)
GC-MS	GC-EI-TOF	positive	Not Available	View Spectrum	(85.0,2.902903);(86.0,0.3003);(87.0,1.901902);(88.0,1.301301);(89.0,21.921922);(90.0,6.406406);(91.0,17.117117);(92.0,2.702703);(93.0,5.305305);(94.0,1.401401);(95.0,4.704705);(96.0,0.800801);(97.0,2.402402);(98.0,1.101101);(99.0,3.603604);(100.0,0.3003);(101.0,0.900901);(102.0,1.501502);(103.0,10.41041);(104.0,7.907908);(105.0,20.42042);(106.0,6.506507);(107.0,12.312312);(108.0,2.702703);(109.0,2.202202);(110.0,0.4004);(111.0,2.402402);(112.0,1.201201);(113.0,0.4004);(115.0,3.003003);(116.0,0.600601);(117.0,2.602603);(118.0,1.801802);(119.0,18.818819);(120.0,2.702703);(121.0,4.804805);(122.0,1.101101);(123.0,2.202202);(124.0,0.3003);(125.0,0.4004);(126.0,0.700701);(127.0,1.001001);(128.0,0.1001);(129.0,0.2002);(131.0,2.402402);(132.0,0.500501);(133.0,8.608609);(134.0,12.812813);(135.0,16.016016);(136.0,10.01001);(137.0,6.006006);(138.0,0.700701);(139.0,0.500501);(140.0,0.1001);(141.0,0.1001);(142.0,0.1001);(143.0,0.3003);(145.0,0.800801);(146.0,0.3003);(147.0,45.245245);(148.0,8.108108);(149.0,38.038038);(150.0,6.706707);(151.0,8.408408);(152.0,1.201201);(153.0,0.900901);(154.0,0.1001);(157.0,0.1001);(159.0,0.3003);(160.0,0.4004);(161.0,5.305305);(162.0,3.603604);(163.0,10.31031);(164.0,4.004004);(165.0,12.912913);(166.0,7.707708);(167.0,3.103103);(168.0,0.600601);(169.0,0.1001);(174.0,0.1001);(175.0,0.700701);(176.0,0.3003);(177.0,4.304304);(178.0,3.103103);(179.0,76.976977);(180.0,16.516517);(181.0,6.606607);(182.0,0.900901);(183.0,0.2002);(189.0,0.2002);(190.0,0.4004);(191.0,2.602603);(192.0,1.701702);(193.0,17.117117);(194.0,11.811812);(195.0,8.108108);(196.0,1.501502);(197.0,1.301301);(198.0,0.1001);(205.0,0.1001);(206.0,0.1001);(207.0,2.002002);(208.0,0.800801);(209.0,100.0);(210.0,17.717718);(211.0,5.705706);(212.0,0.700701);(219.0,0.1001);(221.0,0.2002);(222.0,0.1001);(223.0,4.304304);(224.0,0.900901);(225.0,1.101101);(226.0,0.500501);(227.0,0.1001);(235.0,0.3003);(236.0,0.1001);(237.0,1.301301);(238.0,0.3003);(239.0,0.500501);(240.0,0.1001);(251.0,1.101101);(252.0,0.800801);(253.0,28.928929);(254.0,7.007007);(255.0,6.806807);(256.0,1.401401);(257.0,0.4004);(258.0,0.1001);(259.0,0.1001);(260.0,0.1001);(264.0,0.1001);(265.0,0.3003);(266.0,0.500501);(267.0,40.24024);(268.0,55.655656);(269.0,16.216216);(270.0,5.405405);(271.0,1.001001);(272.0,0.2002);(273.0,0.1001);(274.0,0.1001);(275.0,0.1001);(276.0,0.1001);(277.0,0.1001);(279.0,0.1001);(281.0,0.3003);(282.0,0.3003);(283.0,35.535536);(284.0,10.41041);(285.0,3.803804);(286.0,0.700701);(287.0,0.2002);(288.0,0.1001);(289.0,0.2002);(290.0,0.1001);(291.0,0.2002);(292.0,0.2002);(293.0,0.1001);(294.0,0.1001);(296.0,0.2002);(297.0,15.415415);(298.0,52.952953);(299.0,14.614615);(300.0,5.305305);(301.0,0.900901);(302.0,0.2002)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(25.00727602,0.6870124182);(31.01783932,0.6842269447);(39.02292522,1.063486712);(53.00219012,0.8330015433);(54.01001472,0.8402183726);(55.01783932,0.6301883444);(56.02566392,0.8233701573);(67.01783932,0.8925354984);(68.02566392,0.6048059356);(69.03348852,1.095156509);(79.01783932,0.7800216456);(96.02057802,0.9700800281);(98.03622722,0.6470074141);(108.020578,1.51945978);(109.0284026,2.958942906);(110.0362272,1.330134052);(111.0440518,2.743382406);(121.0284026,0.732041794);(122.0362272,7.357737455);(123.0440518,5.202578844);(124.0518764,8.763539063);(125.0552835,0.7037770691);(125.059701,3.947709237);(126.0675256,4.335320304);(136.0518764,5.005874787);(137.059701,3.310180127);(138.0311413,1.803409797);(139.0389659,3.383302776);(153.0546151,1.783311597);(154.0624397,8.769459232);(155.0658532,0.8083360318)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(27.02292522,1.347777474);(57.03348852,1.122792314);(59.03115062,1.630106057);(71.03115062,1.767738212);(73.04679982,11.23830125);(74.04796012,0.9616191412);(74.05462442,0.9722517914);(75.02606472,1.363378844);(75.06244902,1.694248839);(89.04171392,1.856903912);(113.0417139,1.444199252);(115.0573631,1.343907084);(127.0573631,0.99059773);(139.0573631,1.013019173);(155.0886615,1.067353467);(181.0679264,0.8695000028);(195.0835756,1.267263915);(196.0914002,1.324598738);(197.0992248,1.526831966);(208.0914002,1.003012419);(209.0992248,2.762964437);(211.0784897,1.573971575);(225.0941389,3.217968271);(226.1019635,2.107927503);(227.1097881,1.568617256);(239.091801,1.243209381);(253.1074502,1.309284144);(282.1101889,1.524232846);(283.1180135,8.396867155);(284.119887,2.110676097);(298.1414873,1.107954528)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(25.00727602,0.6870124182);(31.01783932,0.6842269447);(39.02292522,1.063486712);(53.00219012,0.8330015433);(54.01001472,0.8402183726);(55.01783932,0.6301883444);(56.02566392,0.8233701573);(67.01783932,0.8925354984);(68.02566392,0.6048059356);(69.03348852,1.095156509);(79.01783932,0.7800216456);(96.02057802,0.9700800281);(98.03622722,0.6470074141);(108.020578,1.51945978);(109.0284026,2.958942906);(110.0362272,1.330134052);(111.0440518,2.743382406);(121.0284026,0.732041794);(122.0362272,7.357737455);(123.0440518,5.202578844);(124.0518764,8.763539063);(125.0552835,0.7037770691);(125.059701,3.947709237);(126.0675256,4.335320304);(136.0518764,5.005874787);(137.059701,3.310180127);(138.0311413,1.803409797);(139.0389659,3.383302776);(153.0546151,1.783311597);(154.0624397,8.769459232);(155.0658532,0.8083360318)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(120.022926,557.0);(134.037003,122.0);(135.043976,311.0);(138.032272,1139.0);(153.055038,1485.0);(766.579102,244.0);(1452.478516,175.0)
LC-MS/MS	DI-ESI-qTof	Negative	Not Available	View Spectrum	(135.043686,264.0);(138.029266,917.0);(153.05452,3241.0);(154.060837,122.0);(370.088959,106.0);(766.579956,389.0);(1082.364502,105.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(43.01838972,0.0346567916);(45.03403978,0.0539178622);(47.04968984,0.0128701675);(55.01838972,0.0475238688);(57.03403978,0.163939746);(59.04968984,0.0132530433);(61.06533991,0.0225425527);(67.01838972,0.0178610667);(69.03403978,0.0125330393);(79.01838972,0.0110014239);(81.03403978,0.1034424135);(83.04968984,0.0692032213);(87.04460446,0.058025423);(93.03403978,0.0177588225);(95.01330434,0.0147317496);(95.04968984,0.0209773591);(97.0289544,0.0509434117);(99.04460446,0.2201010563);(101.0602545,0.1915171905);(105.0340398,0.0129349731);(107.0496898,0.5554816256);(109.0289544,0.0551341137);(111.0446045,0.1915097021);(113.0602545,0.1583304302);(121.0289544,0.0146869128);(123.0446045,1.199242851);(125.0602545,1.422162713);(127.0395191,0.0484864803);(137.0602545,46.00935744);(139.0395191,0.4644942211);(155.0708192,48.73137833)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(43.01838972,0.1348979693);(45.03403978,0.0969952261);(47.04968984,0.2669708776);(51.0234751,0.3979554149);(55.01838972,0.2576215528);(57.03403978,0.6471811239);(59.04968984,0.3903962739);(61.06533991,0.1371775881);(67.01838972,0.3825809237);(69.03403978,0.1681487638);(79.01838972,0.1192026916);(81.03403978,1.09958326);(83.04968984,0.402298724);(91.01838972,0.1007510731);(93.03403978,0.1862814741);(95.04968984,0.6114621585);(97.0289544,0.3038202714);(99.04460446,0.3326937435);(101.0602545,0.313517907);(105.0340398,0.0697713388);(107.0496898,7.570660944);(109.0289544,0.2791790968);(111.0446045,0.9109319531);(113.0602545,0.6711396108);(121.0289544,0.1019907315);(123.0446045,2.692337303);(125.0602545,3.987403112);(127.0395191,0.0484597285);(137.0602545,57.39630821);(139.0395191,0.5739389043);(155.0708192,19.34834205)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(43.01838972,0.4074450392);(45.03403978,0.2162719033);(51.0234751,10.47524761);(53.03912516,0.8502652967);(55.01838972,1.515986526);(57.03403978,2.91833851);(67.01838972,2.1726977);(69.03403978,0.4419506167);(79.01838972,3.537156714);(81.03403978,8.118851738);(83.04968984,3.54011639);(87.04460446,0.1776761179);(91.01838972,0.7338327226);(93.03403978,1.30017288);(95.01330434,0.3316998688);(95.04968984,0.9613637511);(97.0289544,0.533187619);(99.04460446,0.5372282352);(101.0602545,0.290798825);(105.0340398,1.134229515);(107.0133043,0.1892684927);(107.0496898,20.4018346);(109.0289544,2.497793977);(111.0446045,1.748571907);(113.0602545,0.2840868672);(121.0289544,1.263378109);(123.0446045,1.396318616);(125.0602545,1.18301942);(137.0602545,28.46245187);(139.0395191,1.893653736);(155.0708192,0.4851048299)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(15.0234751,0.0529433425);(17.00273965,0.700740562);(25.00782503,0.0066541204);(29.00273965,0.1389814942);(31.01838972,0.2347458317);(41.00273965,0.0637717434);(43.01838972,0.0313386896);(49.00782503,0.0044002893);(51.0234751,0.0079993918);(55.01838972,0.2430851938);(57.03403978,0.1643009645);(59.04968984,0.0367763705);(65.00273965,0.0087523736);(67.01838972,0.0374548089);(71.01330434,0.0380189432);(79.01838972,0.0486411527);(81.03403978,0.0772794993);(92.99765427,0.004546398);(93.03403978,0.0960533206);(95.01330434,0.0285438908);(97.0289544,0.3776116409);(99.04460446,0.1199580364);(105.0340398,0.1832000936);(107.0133043,1.090269368);(109.0289544,0.2033091552);(111.0446045,0.1689031871);(121.0289544,0.3631284639);(123.0446045,11.10284002);(135.0446045,13.42767942);(137.023869,0.8910075518);(153.0551691,70.04706468)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(15.0234751,0.1054546297);(17.00273965,1.243386122);(25.00782503,0.1498534742);(29.00273965,0.1672103774);(31.01838972,0.1914516094);(41.00273965,0.1156626265);(43.01838972,0.4662296238);(49.00782503,0.073938442);(51.0234751,0.1958202387);(53.00273965,0.1092913359);(55.01838972,0.8047809716);(57.03403978,0.1372396227);(65.00273965,0.3571880177);(67.01838972,0.5567714607);(77.00273965,0.3145278943);(79.01838972,1.204045164);(81.03403978,1.02646806);(92.99765427,0.3690390373);(93.03403978,1.302454924);(95.01330434,1.656478121);(97.0289544,1.746670466);(99.04460446,0.2160260813);(105.0340398,1.638048171);(107.0133043,9.832721882);(109.0289544,0.7539715067);(111.0446045,1.373158432);(121.0289544,1.694478952);(123.0446045,19.17936481);(135.0446045,14.19734997);(137.023869,7.175121386);(153.0551691,31.6457966)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(29.00273965,0.6179767265);(41.00273965,2.023058907);(43.01838972,0.6389327742);(49.00782503,1.45063516);(51.0234751,1.865374409);(53.00273965,2.447276967);(55.01838972,7.227685082);(57.03403978,0.7078461707);(65.00273965,1.621601398);(67.01838972,3.394414685);(71.01330434,1.876295131);(77.00273965,2.051134982);(79.01838972,5.783521141);(80.99765427,1.233650533);(81.03403978,4.119338415);(83.01330434,1.296776799);(92.99765427,0.7466146901);(93.03403978,5.514306029);(95.01330434,3.354258763);(97.0289544,4.161465666);(99.04460446,0.6852644583);(103.0183897,0.4425386226);(105.0340398,2.673951938);(107.0133043,23.39453885);(109.0289544,1.089733981);(111.0446045,0.7967677482);(121.0289544,2.353302225);(123.0446045,6.309235755);(135.0446045,1.490248955);(137.023869,7.556277419);(153.0551691,1.075975619)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(153.05572,100.0);(153.05572,100.0);(153.05572,100.0);(153.05572,100.0);(153.05572,100.0);(153.05572,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(93.03459,39.56);(93.03459,39.56);(93.03459,39.56);(107.01385,100.0);(107.01385,100.0);(107.01385,100.0);(109.0295,36.77);(109.0295,36.77);(109.0295,36.77);(109.0295,36.77);(121.0295,41.02);(121.0295,41.02);(121.0295,41.02);(121.0295,41.02);(123.04515,51.02);(123.04515,51.02);(123.04515,51.02);(123.04515,51.02);(123.04515,51.02);(123.04515,51.02);(123.04515,51.02);(123.04515,51.02);(135.04515,20.63);(135.04515,20.63);(135.04515,20.63);(135.04515,20.63);(137.02442,80.51);(137.02442,80.51);(137.02442,80.51);(137.02442,80.51);(137.02442,80.51);(137.02442,80.51);(137.02442,80.51);(151.04007,97.91);(151.04007,97.91);(151.04007,97.91);(151.04007,97.91);(153.05572,77.59);(153.05572,77.59);(153.05572,77.59);(153.05572,77.59);(153.05572,77.59);(153.05572,77.59)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,35.26);(51.02402,16.67);(53.00329,13.83);(55.01894,29.64);(55.01894,29.64);(67.01894,33.54);(67.01894,33.54);(69.03459,11.25);(69.03459,11.25);(69.03459,11.25);(79.01894,12.64);(79.01894,12.64);(79.01894,12.64);(81.03459,14.46);(81.03459,14.46);(81.03459,14.46);(93.03459,17.31);(93.03459,17.31);(93.03459,17.31);(95.01385,15.02);(95.01385,15.02);(95.01385,15.02);(99.04515,10.12);(99.04515,10.12);(99.04515,10.12);(99.04515,10.12);(107.01385,16.99);(107.01385,16.99);(107.01385,16.99);(109.0295,19.36);(109.0295,19.36);(109.0295,19.36);(109.0295,19.36);(151.04007,100.0);(151.04007,100.0);(151.04007,100.0);(151.04007,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(95.04914,46.84);(95.04914,46.84);(95.04914,46.84);(95.04914,46.84);(105.03349,27.26);(105.03349,27.26);(105.03349,27.26);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(123.04406,100.0);(137.05971,48.86);(137.05971,48.86);(137.05971,48.86);(137.05971,48.86);(137.05971,48.86);(137.05971,48.86);(137.05971,48.86);(155.07027,18.44);(155.07027,18.44);(155.07027,18.44);(155.07027,18.44);(155.07027,18.44);(155.07027,18.44);(155.07027,18.44)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(83.04914,21.05);(83.04914,21.05);(83.04914,21.05);(83.04914,21.05);(95.04914,59.1);(95.04914,59.1);(95.04914,59.1);(95.04914,59.1);(105.03349,69.68);(105.03349,69.68);(105.03349,69.68);(107.04914,20.31);(107.04914,20.31);(107.04914,20.31);(107.04914,20.31);(109.06479,55.17);(109.06479,55.17);(109.06479,55.17);(111.04406,25.26);(111.04406,25.26);(111.04406,25.26);(111.04406,25.26);(111.04406,25.26);(111.04406,25.26);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(123.04406,56.55);(125.05971,24.29);(125.05971,24.29);(125.05971,24.29);(125.05971,24.29);(125.05971,24.29);(125.05971,24.29);(125.05971,24.29);(125.05971,24.29);(125.05971,24.29);(127.07536,32.3);(127.07536,32.3);(127.07536,32.3);(127.07536,32.3);(127.07536,32.3);(127.07536,32.3);(127.07536,32.3);(127.07536,32.3);(127.07536,32.3);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(137.05971,100.0);(155.07027,36.98);(155.07027,36.98);(155.07027,36.98);(155.07027,36.98);(155.07027,36.98);(155.07027,36.98);(155.07027,36.98)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(39.02293,36.4);(41.03858,18.18);(43.01784,23.96);(51.02293,53.68);(53.03858,32.58);(57.03349,23.53);(57.03349,23.53);(65.03858,41.0);(67.05423,17.94);(69.03349,19.59);(69.03349,19.59);(69.03349,19.59);(69.03349,19.59);(79.01784,39.52);(79.01784,39.52);(79.01784,39.52);(79.01784,39.52);(81.03349,65.94);(81.03349,65.94);(81.03349,65.94);(81.03349,65.94);(81.03349,65.94);(83.04914,55.0);(83.04914,55.0);(83.04914,55.0);(83.04914,55.0);(93.03349,59.09);(93.03349,59.09);(93.03349,59.09);(93.03349,59.09);(95.04914,17.05);(95.04914,17.05);(95.04914,17.05);(95.04914,17.05);(105.03349,48.51);(105.03349,48.51);(105.03349,48.51);(107.04914,31.21);(107.04914,31.21);(107.04914,31.21);(107.04914,31.21);(109.06479,100.0);(109.06479,100.0);(109.06479,100.0);(137.05971,24.18);(137.05971,24.18);(137.05971,24.18);(137.05971,24.18);(137.05971,24.18);(137.05971,24.18);(137.05971,24.18)

Food Sources

No food source information available

Food Sources of its Food Phytochemical(s)

No food source information available of its precursor(s)

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 Vanillyl alcohol