PhytoHub: Showing entry for 3-Methoxy,4-hydroxyphenyllactic acid

3-Methoxy,4-hydroxyphenyllactic acid

Identification

PhytoHub ID

PHUB002764

Name

3-Methoxy,4-hydroxyphenyllactic acid

Systematic Name

3-Methoxy,4-hydroxyphenyllactic acid

Synonyms

Not Available

CAS Number

Not Available

Average Mass

212.201

Monoisotopic Mass

212.068473486

Chemical Formula

C₁₀H₁₂O₅

IUPAC Name

2-hydroxy-3-(4-hydroxy-3-methoxyphenyl)propanoic acid

InChI Key

SVYIZYRTOYHQRE-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C10H12O5/c1-15-9-5-6(2-3-7(9)11)4-8(12)10(13)14/h2-3,5,8,11-12H,4H2,1H3,(H,13,14)

SMILES

COC1=CC(CC(O)C(O)=O)=CC=C1O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 4.30e+00 g/l
LogS (ALOGPS): -1.69
LogP (ALOGPS): 1.08
Hydrogen Acceptors: 5
Hydrogen Donors: 3
Rotatable Bond Count: 4
Polar Surface Area: 86.99000000000001
Refractivity: 51.9029
Polarizability: 20.582600339550794
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.8355517102509062
pKa (strongest acidic): 3.372018315408929
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: Yes
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Metabolite

Family: (Poly)phenol metabolites
Class: Phenolic acid metabolites
Sub-class: Phenylpropanoic acids

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(29.00219012,1.126624054);(43.98927962,1.751597277);(44.99710422,6.323936947);(46.00492882,1.741263041);(47.01275342,1.11514964);(95.04913772,1.082217154);(105.0334885,0.9177664391);(107.0491377,1.232423039);(109.0647869,0.7967711182);(121.0284026,0.8659482165);(122.0362272,1.609871097);(123.0440518,3.440741017);(124.0518764,1.71160709);(125.059701,0.8292461041);(135.0440518,2.309726606);(136.0518764,2.129692103);(137.059701,5.351546802);(138.0675256,3.023186771);(139.0753502,2.146208332);(147.0440518,0.9756945759);(148.0518764,1.527273581);(149.059701,3.258722101);(151.0389659,1.501402424);(164.0467905,0.7998560413);(165.0546151,2.618565023);(166.0624397,4.263734203);(167.0702643,3.760762413);(168.0780889,2.024984816);(194.0573538,3.354299288);(195.0651784,2.126556429);(212.0679171,1.167322108)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(71.03115062,1.013607307);(73.04679982,10.30445623);(74.04796012,0.8817135371);(75.02606472,6.175022091);(75.06244902,1.03485089);(89.04171392,6.155865157);(90.04953852,0.8400349226);(91.05736312,1.263084142);(115.0573631,0.876376104);(117.036628,2.605521254);(195.0835756,0.752782122);(209.0992248,2.272165372);(219.0867151,0.9987959919);(239.1097881,0.9118548524);(267.1230994,0.7512577771);(281.1387486,0.9493741898);(295.1180135,2.395517524);(297.1336627,1.632908095);(310.1414873,0.7513248604);(311.1493119,3.311143143);(312.151316,0.9084208486);(338.1364014,0.7421512326);(339.144226,3.131729421);(340.1462859,0.8954286356);(355.1391401,2.389038054);(356.1469647,2.349133399);(357.1547893,1.368544868);(412.1551901,1.053423346);(413.1630147,7.805581671);(414.1648176,2.811715792);(415.1627497,1.334317226)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(29.00219012,1.126624054);(43.98927962,1.751597277);(44.99710422,6.323936947);(46.00492882,1.741263041);(47.01275342,1.11514964);(95.04913772,1.082217154);(105.0334885,0.9177664391);(107.0491377,1.232423039);(109.0647869,0.7967711182);(121.0284026,0.8659482165);(122.0362272,1.609871097);(123.0440518,3.440741017);(124.0518764,1.71160709);(125.059701,0.8292461041);(135.0440518,2.309726606);(136.0518764,2.129692103);(137.059701,5.351546802);(138.0675256,3.023186771);(139.0753502,2.146208332);(147.0440518,0.9756945759);(148.0518764,1.527273581);(149.059701,3.258722101);(151.0389659,1.501402424);(164.0467905,0.7998560413);(165.0546151,2.618565023);(166.0624397,4.263734203);(167.0702643,3.760762413);(168.0780889,2.024984816);(194.0573538,3.354299288);(195.0651784,2.126556429);(212.0679171,1.167322108)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(44.99710422,4.624171459);(59.03115062,1.330380083);(71.03115062,1.738579604);(73.01041552,1.509955279);(73.04679982,12.91632829);(74.04796012,1.1052016);(74.05462442,1.09386955);(75.02606472,3.592920467);(75.06244902,1.776436902);(89.04171392,3.912125156);(90.04953852,1.71038232);(91.05736312,1.980412829);(123.0440518,2.310404235);(124.0518764,1.214858999);(135.0440518,1.72976473);(136.0518764,1.147674564);(137.059701,3.470881618);(138.0675256,1.19538819);(167.0702643,1.015533519);(194.0573538,0.8800015383);(195.0651784,1.181833111);(211.0600925,1.264198551);(223.0784897,2.111705011);(237.0941389,0.9372604424);(238.1019635,0.9747370084);(239.1097881,4.100007209);(240.1176127,0.9420180117);(266.0968776,0.9954665297);(267.1047022,1.526618705);(268.0761425,0.9007310795);(269.0839671,4.088915726)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.03115062,0.8668248322);(73.01041552,1.223972382);(73.04679982,6.355005337);(75.02606472,4.07255296);(89.04171392,4.854763896);(90.04953852,1.914753789);(91.05736312,2.023819371);(103.0209788,1.606894027);(107.0491377,1.086768309);(117.036628,6.206198969);(122.0362272,0.7743929666);(123.0440518,2.259539132);(124.0518764,1.087478673);(135.0440518,2.045635035);(136.0518764,1.400665982);(137.059701,3.580028571);(138.0675256,2.024589132);(139.0753502,1.73947868);(149.059701,2.970164101);(151.0389659,1.101575767);(165.0546151,1.678910501);(166.0624397,1.815496557);(167.0702643,3.846809374);(168.0780889,0.9999002911);(195.0651784,2.447519396);(211.0600925,1.059420512);(212.0679171,1.01970574);(251.0734038,1.256600835);(266.0968776,0.9915474047);(267.1047022,1.136809475);(269.0839671,2.457930898)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(43.98927962,1.059917099);(44.99710422,5.928565866);(46.00492882,1.232752515);(73.04679982,5.995987715);(95.04913772,0.7775812922);(115.0573631,1.059577051);(137.059701,1.301002364);(165.0546151,0.7530996972);(167.0702643,0.6828014287);(181.0679264,0.9378492162);(183.0651784,0.6807666281);(193.0679264,1.239875826);(195.0835756,4.051588538);(196.0858164,0.6708360798);(208.0914002,0.8394536341);(209.0992248,3.163055065);(210.1070494,1.215971651);(211.114874,1.185183978);(221.0992248,1.47210867);(223.0784897,4.538961952);(224.0808051,0.8040426826);(225.0941389,1.314195704);(237.0941389,2.340834202);(238.1019635,2.136965908);(239.1097881,2.573906121);(240.1176127,0.6443904627);(251.0734038,1.530700525);(266.0968776,1.934516951);(267.1047022,2.806436526);(268.0761425,0.736140931);(269.0839671,2.336751327)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(59.03115062,2.022282221);(71.03115062,1.233051146);(73.04679982,8.78463619);(74.05462442,0.77864399);(75.02606472,6.082888605);(75.06244902,1.25889392);(89.04171392,7.048535356);(90.04953852,1.036567121);(91.05736312,1.536539188);(117.036628,3.789379553);(123.0440518,1.313417653);(124.0518764,0.848487257);(135.0440518,1.66402598);(137.059701,3.259483844);(138.0675256,0.801421136);(211.114874,0.7703024185);(219.0867151,1.158259106);(223.0784897,1.692251388);(225.0941389,0.8589377536);(238.1019635,1.029017199);(239.1097881,4.555430552);(240.1121777,0.8606867484);(266.0968776,1.017045049);(267.1047022,4.291747174);(268.1071492,0.860517806);(283.0996163,1.967163142);(284.1074409,1.851961259);(285.1152655,1.245886533);(340.1156663,1.056432093);(341.1234909,6.264009367);(342.1254964,1.721364794)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(44.99710422,5.11438346);(59.03115062,1.086621823);(71.03115062,1.222609329);(73.01041552,0.8231689938);(73.04679982,11.90294331);(74.04796012,1.018490061);(74.05462442,0.8580509332);(75.02606472,2.933798761);(75.06244902,1.407439647);(89.04171392,3.241652138);(90.04953852,1.331222953);(91.05736312,1.569046179);(147.0471913,0.7688422384);(195.0835756,1.790574822);(209.0992248,1.976178459);(266.0968776,0.7949156829);(267.1047022,1.474185844);(281.1387486,1.036581072);(283.0996163,2.037809334);(284.1074409,1.941758522);(285.1152655,1.086112405);(295.1180135,3.11966804);(296.1199502,0.8190957637);(297.1336627,1.416754977);(311.1129276,1.236618039);(311.1493119,3.368165662);(312.151316,0.9240651269);(339.144226,1.073673007);(340.1156663,0.9610581359);(341.1234909,5.390072117);(342.1254964,1.481204742)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(73.04679982,7.520993992);(75.02606472,4.193538542);(89.04171392,4.672063344);(90.04953852,1.580151978);(91.05736312,2.293778355);(103.0209788,1.690255776);(115.0573631,1.054426589);(117.036628,5.847783346);(167.0702643,0.7280173982);(193.0679264,0.9775794008);(195.0835756,3.152980217);(196.0914002,0.6466353447);(209.0992248,2.782181427);(210.1070494,0.8650388042);(211.114874,0.9622087406);(223.0784897,2.650043295);(225.0941389,0.7505160819);(237.0941389,1.253269985);(238.1019635,0.9991366105);(239.1097881,2.626485492);(240.1176127,0.7464154084);(267.1047022,1.961530772);(283.0996163,1.756499428);(284.1074409,1.771498533);(285.1152655,0.9628385545);(323.1129276,1.134429462);(338.1364014,0.9127097246);(339.144226,1.698395868);(340.1156663,0.7932293793);(341.1234909,4.166226265);(342.1254964,1.144888967)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(44.99710422,4.812032896);(47.01275342,1.207141772);(55.05422362,1.160304971);(57.01550142,0.7467185922);(57.06987282,2.554442927);(59.03115062,2.809928153);(73.01041552,1.764859607);(75.02606472,6.890682415);(77.04171392,2.254619764);(115.0937474,1.031536594);(123.0440518,1.337314198);(131.0886615,1.213378055);(135.0440518,1.001226927);(137.059701,2.469707928);(167.0702643,0.9386529462);(194.0573538,0.9200125836);(195.0651784,1.366898073);(211.0600925,1.245150371);(213.0757417,0.8588658019);(223.0784897,3.204793838);(225.0941389,5.057320492);(226.096461,0.89738339);(251.0734038,0.8757883931);(268.0761425,1.184810285);(269.0839671,3.814561159);(270.0863578,0.7224251812);(270.0917917,1.257592256);(271.0996163,0.9548636929);(281.1567357,1.424873097);(310.1230901,0.7872610004);(311.1309147,2.450656742)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(44.99710422,1.164418998);(55.05422362,0.8460509375);(57.06987282,1.746578468);(59.03115062,1.50222913);(73.01041552,1.953393108);(75.02606472,6.830600304);(76.03388932,0.9425582575);(77.04171392,3.028706807);(103.0209788,4.27977728);(115.0937474,1.969135578);(117.0730123,1.05155706);(123.0440518,1.142237817);(131.0886615,5.250944635);(135.0440518,1.285352177);(136.0518764,0.8890693878);(137.059701,3.218966261);(138.0675256,1.285103118);(139.0753502,1.305022219);(159.0835756,0.9271379462);(165.0546151,1.065684432);(166.0624397,1.712398324);(167.0702643,3.221994053);(195.0651784,2.517780504);(211.0600925,1.039072797);(213.0757417,0.8496995698);(251.0734038,1.936792489);(268.0761425,1.094653172);(269.0839671,3.077699269);(270.0917917,1.317197765);(271.0996163,0.9493116988);(311.1309147,2.173673388)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(44.99710422,4.947350921);(46.00492882,0.791645543);(55.05422362,0.8834956567);(57.06987282,2.074283644);(115.0937474,1.061628266);(137.059701,1.259188699);(165.0546151,0.8478775703);(167.0702643,1.122537006);(179.0522772,0.7595951533);(181.0679264,1.906447149);(193.0679264,2.422348288);(195.0835756,5.225244546);(196.0858164,0.8651625243);(197.0992248,1.211719375);(213.0757417,0.8027030461);(223.0784897,5.444334236);(224.0808051,0.9644225157);(224.0863143,0.717429626);(225.0941389,5.884505739);(226.096461,1.044161175);(251.0734038,2.717316508);(251.1461724,1.326256067);(253.089053,1.43806669);(253.1618216,0.7365212206);(269.0839671,2.509528795);(270.0917917,0.9470928435);(271.0996163,0.9428370603);(281.1567357,1.325295429);(309.1516498,0.9576723386);(310.1230901,0.7075119846);(311.1309147,2.410039013)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(57.06987282,1.182870747);(59.03115062,1.992174507);(73.01041552,1.935735614);(75.02606472,7.549915337);(77.04171392,2.212399351);(131.0886615,0.8395251979);(137.059701,1.945194642);(159.0835756,1.83770721);(223.0784897,2.212911819);(225.0941389,3.817188408);(247.1180135,1.108186815);(251.0734038,1.558519848);(253.089053,2.010698746);(269.0839671,2.94642056);(281.1567357,1.560998668);(283.1723849,0.8881431223);(309.1516498,1.287156944);(325.0921925,2.439559601);(325.1465639,1.301459221);(327.1078417,8.995575897);(327.1622131,1.014789359);(328.1097849,2.368611021);(329.1074935,0.9773867569);(329.1234909,1.339368634);(369.1547893,1.649860795);(383.1704385,4.388189809);(384.172603,1.357198137);(384.1782631,0.9342913054);(385.1860877,0.9257841023);(425.2173861,2.505207645);(426.2196777,0.8612056314)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(44.99710422,2.988514457);(57.06987282,2.10231672);(59.03115062,1.685532219);(73.01041552,1.416763849);(75.02606472,4.373636488);(77.04171392,1.3445749);(131.0886615,0.8556875907);(181.0679264,1.030429704);(195.0835756,1.979273979);(251.0734038,1.148487217);(251.1461724,0.7826595498);(253.089053,0.7818259157);(269.0839671,2.619256094);(325.0921925,1.989686254);(325.1465639,1.58741428);(327.1078417,7.143173542);(327.1622131,0.990255971);(328.1097849,1.880857854);(329.1074935,0.7761196506);(329.1234909,1.982407206);(337.1649611,2.149741329);(339.1806103,2.876409428);(340.1827248,0.8552731874);(353.1598752,0.7473613254);(369.1547893,2.13056706);(383.1704385,3.236709119);(384.172603,1.001063258);(384.1782631,0.8391471893);(385.1860877,1.26328501);(425.2173861,2.503766663);(426.2196777,0.8607102707)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(57.06987282,1.182567099);(73.01041552,1.575965931);(75.02606472,4.02991008);(77.04171392,1.898849702);(103.0209788,2.176174038);(115.0937474,1.771858113);(131.0886615,4.502295249);(193.0679264,1.285316799);(195.0835756,3.398394938);(223.0784897,2.738240692);(225.0941389,3.736012506);(251.1461724,1.003541548);(253.089053,0.9359603312);(265.1254373,0.9450877019);(269.0839671,2.518737743);(281.1567357,1.111911288);(309.1516498,0.7179983794);(325.0921925,1.79289932);(325.1465639,1.421191486);(327.1078417,6.582648073);(327.1622131,0.9617759349);(328.1097849,1.733266769);(329.1074935,0.715217472);(365.1598752,1.52119597);(383.1704385,2.823366586);(384.172603,0.8732229094);(384.1782631,0.8429537576);(385.1860877,0.9638531748);(423.2381212,0.8185214195);(425.2173861,3.225008534);(426.2196777,1.108648825)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(57.06987282,1.05428831);(59.03115062,1.118496018);(73.01041552,1.264570011);(75.02606472,5.026785933);(159.0835756,1.661883292);(195.0835756,1.043413919);(337.1649611,1.356479556);(339.1806103,3.281492496);(340.1827248,0.9757208132);(365.1598752,1.179791532);(367.1755244,0.982404199);(383.1704385,3.947868525);(384.172603,1.221013685);(395.2432071,0.7581300874);(423.2381212,1.171840042);(439.1786639,2.071588648);(439.2330353,1.416438109);(440.1805611,0.7932247378);(441.1943131,13.09337433);(441.2486845,0.9809531765);(442.1962137,5.017466606);(443.1943076,2.348473906);(467.2463466,0.9099245317);(496.2490853,1.342254405);(497.2569099,3.409647435);(498.2589746,1.463360607);(499.2725591,3.4702109);(500.2746267,1.490394598);(539.3038575,4.255720915);(540.3060238,1.973225717);(541.3047152,0.9064407489)
LC-MS/MS	Quattro_QQQ	Positive	low	View Spectrum	(107.0,7.059);(125.0,6.244);(135.0,14.059);(149.0,43.775);(153.0,41.5);(166.0,6.818);(167.0,100.0);(177.0,6.325);(195.0,20.927);(213.0,19.768)
LC-MS/MS	Quattro_QQQ	Positive	med	View Spectrum	(65.0,30.772);(77.0,38.973);(79.0,90.335);(91.0,29.667);(93.0,100.0);(107.0,57.036);(121.0,25.917);(125.0,28.279);(135.0,29.192);(149.0,25.94)
LC-MS/MS	Quattro_QQQ	Positive	high	View Spectrum	(65.0,100.0);(77.0,93.93);(78.0,22.659);(79.0,52.111);(91.0,25.037);(93.0,30.943);(94.0,18.443);(107.0,19.097)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(137.0597059,13.68299519);(149.0597059,2.564547105);(167.0702706,12.9205317);(177.0546206,4.967881081);(195.0651853,25.71073994);(213.0757499,21.97966991)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(71.01275576,1.262226871);(75.00767038,1.117915291);(89.02332044,1.226660645);(105.0334912,1.374253671);(107.0491413,2.242731126);(109.0647913,3.038032879);(123.0440559,4.433714894);(125.0597059,1.392547295);(135.0440559,1.977590379);(137.0597059,15.36577498);(139.075356,3.731898376);(149.0597059,4.567675798);(165.0546206,1.841542798);(167.0702706,13.9972764);(177.0546206,4.771114532);(195.0651853,11.89372491);(213.0757499,6.703372354)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(15.02292652,1.205364519);(39.02292652,1.718345601);(49.00727645,1.966063987);(51.02292652,2.65019554);(53.03857658,1.002135716);(55.01784114,1.009273954);(65.03857658,6.440040818);(67.05422664,1.955142106);(75.00767038,1.34172231);(79.01784114,1.535900777);(81.0334912,1.233976435);(93.0334912,2.797028736);(95.04914126,3.126454269);(105.0334912,5.645914941);(107.0491413,8.090917821);(109.0284058,1.562713904);(109.0647913,4.275454093);(121.0284058,3.83618281);(121.0647913,1.156614601);(123.0440559,7.665176362);(125.0597059,1.623549905);(135.0440559,4.50821375);(137.0597059,7.892487716);(139.075356,1.920178893);(149.0597059,3.301271258);(167.0702706,1.049491691)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(72.99311747,7.900246689);(75.00876754,6.676191148);(165.0557177,3.99538665);(167.0713678,9.919622307);(193.0506323,11.35493776);(211.061197,45.4386981)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(71.01385292,2.287493618);(72.99311747,6.291086577);(75.00876754,4.259794226);(89.0244176,3.231331312);(121.029503,4.354885232);(123.045153,1.813724278);(135.045153,2.748775197);(137.0608031,9.060080201);(149.0608031,4.72552365);(151.0400677,5.267923775);(163.0400677,1.734923038);(165.0557177,8.642393118);(167.0713678,8.489046543);(193.0506323,9.900487525);(211.061197,8.251937349)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(29.00328823,4.128351324);(43.0189383,4.107615632);(44.99820285,1.674379733);(56.99820285,3.638807226);(71.01385292,2.964812114);(72.99311747,5.317716787);(87.00876754,1.952660366);(93.03458836,3.298630437);(95.05023842,1.676896723);(105.0345884,1.451140074);(107.0138529,1.801393266);(121.029503,8.263854877);(123.045153,9.613137839);(135.045153,5.292640346);(137.0608031,6.357131478);(149.0244176,2.104731571);(149.0608031,1.949300854);(151.0400677,8.584881537);(163.0400677,1.562622556);(165.0557177,3.241495305);(167.0713678,1.335803542)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(72.99312,41.32);(75.00877,68.66);(135.04515,16.03);(135.04515,16.03);(135.04515,16.03);(135.04515,16.03);(137.0608,16.7);(137.0608,16.7);(137.0608,16.7);(137.0608,16.7);(137.0608,16.7);(193.05063,17.43);(193.05063,17.43);(193.05063,17.43);(211.0612,100.0);(211.0612,100.0);(211.0612,100.0);(211.0612,100.0);(211.0612,100.0);(211.0612,100.0);(211.0612,100.0)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(56.9982,47.16);(71.01385,18.89);(71.01385,18.89);(71.01385,18.89);(72.99312,51.04);(75.00877,66.01);(105.03459,24.04);(105.03459,24.04);(121.0295,100.0);(123.04515,45.88);(123.04515,45.88);(123.04515,45.88);(123.04515,45.88);(135.04515,78.73);(135.04515,78.73);(135.04515,78.73);(135.04515,78.73);(137.0608,33.68);(137.0608,33.68);(137.0608,33.68);(137.0608,33.68);(137.0608,33.68);(149.0608,22.27);(149.0608,22.27);(151.04007,22.25);(151.04007,22.25);(209.04555,32.93);(209.04555,32.93)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(43.01894,38.65);(56.9982,21.92);(59.01385,10.61);(59.01385,10.61);(72.99312,9.32);(75.00877,17.75);(93.03459,9.61);(93.03459,9.61);(93.03459,9.61);(105.03459,17.07);(105.03459,17.07);(107.01385,19.52);(107.05024,13.04);(107.05024,13.04);(121.0295,77.1);(123.04515,24.57);(123.04515,24.57);(123.04515,24.57);(123.04515,24.57);(135.04515,62.47);(135.04515,62.47);(135.04515,62.47);(135.04515,62.47);(137.0608,15.78);(137.0608,15.78);(137.0608,15.78);(137.0608,15.78);(137.0608,15.78);(149.02442,10.84);(149.0608,9.85);(149.0608,9.85);(151.04007,42.44);(151.04007,42.44);(209.04555,100.0);(209.04555,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(135.04406,9.79);(135.04406,9.79);(135.04406,9.79);(135.04406,9.79);(135.04406,9.79);(135.04406,9.79);(137.05971,24.5);(137.05971,24.5);(137.05971,24.5);(137.05971,24.5);(137.05971,24.5);(137.05971,24.5);(137.05971,24.5);(137.05971,24.5);(139.07536,40.01);(139.07536,40.01);(139.07536,40.01);(139.07536,40.01);(139.07536,40.01);(139.07536,40.01);(139.07536,40.01);(139.07536,40.01);(167.07027,28.69);(167.07027,28.69);(167.07027,28.69);(167.07027,28.69);(167.07027,28.69);(167.07027,28.69);(167.07027,28.69);(167.07027,28.69);(177.05462,10.7);(195.06519,54.04);(195.06519,54.04);(195.06519,54.04);(195.06519,54.04);(195.06519,54.04);(195.06519,54.04);(195.06519,54.04);(195.06519,54.04);(213.07575,100.0);(213.07575,100.0);(213.07575,100.0);(213.07575,100.0);(213.07575,100.0);(213.07575,100.0);(213.07575,100.0)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(61.02841,8.08);(61.02841,8.08);(73.02841,10.6);(73.02841,10.6);(95.04914,9.71);(95.04914,9.71);(95.04914,9.71);(95.04914,9.71);(95.04914,9.71);(105.03349,10.71);(105.03349,10.71);(107.04914,23.98);(107.04914,23.98);(107.04914,23.98);(109.06479,19.06);(109.06479,19.06);(121.06479,15.77);(123.04406,16.24);(123.04406,16.24);(123.04406,16.24);(123.04406,16.24);(123.04406,16.24);(123.04406,16.24);(123.04406,16.24);(125.05971,8.69);(125.05971,8.69);(125.05971,8.69);(125.05971,8.69);(125.05971,8.69);(125.05971,8.69);(125.05971,8.69);(125.05971,8.69);(125.05971,8.69);(135.04406,29.19);(135.04406,29.19);(135.04406,29.19);(135.04406,29.19);(135.04406,29.19);(135.04406,29.19);(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);(137.05971,100.0);(139.07536,54.73);(139.07536,54.73);(139.07536,54.73);(139.07536,54.73);(139.07536,54.73);(139.07536,54.73);(139.07536,54.73);(139.07536,54.73);(149.05971,10.2);(163.03897,14.38);(163.03897,14.38);(167.07027,23.26);(167.07027,23.26);(167.07027,23.26);(167.07027,23.26);(167.07027,23.26);(167.07027,23.26);(167.07027,23.26);(167.07027,23.26);(177.05462,6.99);(195.06519,19.1);(195.06519,19.1);(195.06519,19.1);(195.06519,19.1);(195.06519,19.1);(195.06519,19.1);(195.06519,19.1);(195.06519,19.1);(213.07575,26.79);(213.07575,26.79);(213.07575,26.79);(213.07575,26.79);(213.07575,26.79);(213.07575,26.79);(213.07575,26.79)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(45.03349,6.48);(51.02293,22.55);(53.03858,15.56);(59.01276,11.26);(59.01276,11.26);(61.02841,15.94);(61.02841,15.94);(65.03858,55.25);(67.05423,28.08);(69.06988,11.08);(81.03349,19.73);(81.03349,19.73);(83.04914,6.92);(83.04914,6.92);(83.04914,6.92);(83.04914,6.92);(93.03349,8.6);(93.03349,8.6);(93.03349,8.6);(95.04914,21.38);(95.04914,21.38);(95.04914,21.38);(95.04914,21.38);(95.04914,21.38);(97.06479,8.14);(97.06479,8.14);(97.06479,8.14);(105.03349,14.61);(105.03349,14.61);(107.04914,18.45);(107.04914,18.45);(107.04914,18.45);(109.06479,20.84);(109.06479,20.84);(121.06479,10.5);(123.04406,16.31);(123.04406,16.31);(123.04406,16.31);(123.04406,16.31);(123.04406,16.31);(123.04406,16.31);(123.04406,16.31);(135.04406,16.68);(135.04406,16.68);(135.04406,16.68);(135.04406,16.68);(135.04406,16.68);(135.04406,16.68);(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);(137.05971,100.0);(139.07536,9.51);(139.07536,9.51);(139.07536,9.51);(139.07536,9.51);(139.07536,9.51);(139.07536,9.51);(139.07536,9.51);(139.07536,9.51);(151.07536,8.15);(151.07536,8.15);(167.07027,6.48);(167.07027,6.48);(167.07027,6.48);(167.07027,6.48);(167.07027,6.48);(167.07027,6.48);(167.07027,6.48);(167.07027,6.48)

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 3-Methoxy,4-hydroxyphenyllactic acid