m-Trigallic acid
precursor
Showing entry for m-Trigallic acid
Identification
- PhytoHub ID
- PHUB001424
- Name
- m-Trigallic acid
- Systematic Name
- Not Available
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 474.33
- Monoisotopic Mass
- 474.043440511
- Chemical Formula
- C21H14O13
- IUPAC Name
- 3-[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoyloxy]-4,5-dihydroxybenzoic acid
- InChI Key
- QUXNYZHQBWMPNX-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C21H14O13/c22-10-2-8(3-11(23)16(10)26)20(31)34-15-6-9(4-13(25)18(15)28)21(32)33-14-5-7(19(29)30)1-12(24)17(14)27/h1-6,22-28H,(H,29,30)
- SMILES
OC(=O)C1=CC(O)=C(O)C(OC(=O)C2=CC(O)=C(O)C(OC(=O)C3=CC(O)=C(O)C(O)=C3)=C2)=C1
- Structure
Structure for m-Trigallic acid
Calculated Properties
- Solubility (ALOGPS)
- 6.52e-02 g/l
- LogS (ALOGPS)
- -3.86
- LogP (ALOGPS)
- 2.76
- Hydrogen Acceptors
- 11
- Hydrogen Donors
- 8
- Rotatable Bond Count
- 7
- Polar Surface Area
- 231.50999999999996
- Refractivity
- 110.78629999999997
- Polarizability
- 43.71425770257832
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -4.77149178099476
- pKa (strongest acidic)
- 3.9120334673285067
- Number of Rings
- 3
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- Yes
- Veber's Rule
- No
- MDDR-like Rule
- Yes
Taxonomy as Food Phytochemical
- Family
- Polyphenols
- Class
- Miscellaneous polyphenols
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Depsides and depsidones
- Super-class
- Phenylpropanoids and polyketides
- Sub-class
- Not Available
- Direct Parent Name
- Depsides and depsidones
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "Benzoic acids", "Benzoyl derivatives", "Carboxylic acid esters", "Carboxylic acids", "Catechols", "Galloyl esters", "Hydrocarbon derivatives", "Organic oxides", "Phenol esters", "Phenoxy compounds", "Polyols", "Pyrogallols and derivatives", "Tricarboxylic acids and derivatives", "m-Hydroxybenzoic acid esters", "p-Hydroxybenzoic acid esters"]
- External Descriptor Annotations
- Not Available
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "Aromatic homomonocyclic compound", "Benzenetriol", "Benzenoid", "Benzoate ester", "Benzoic acid", "Benzoic acid or derivatives", "Benzoyl", "Carboxylic acid", "Carboxylic acid derivative", "Carboxylic acid ester", "Catechol", "Depside backbone", "Dihydroxybenzoic acid", "Gallic acid or derivatives", "Galloyl ester", "Hydrocarbon derivative", "Hydroxybenzoic acid", "M-hydroxybenzoic acid ester", "Monocyclic benzene moiety", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "P-hydroxybenzoic acid ester", "Phenol", "Phenol ester", "Phenoxy compound", "Polyol", "Pyrogallol derivative", "Tricarboxylic acid or derivatives"]
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (124.0154921,1.180899598);(125.0233167,5.416640638);(126.0311413,0.77815526);(127.0389659,0.8204315465);(135.0076675,1.331115363);(137.0233167,1.703177815);(151.0025816,2.882652522);(152.0104062,1.691072156);(153.0182308,33.41927394);(154.0216295,2.6938322);(154.0260554,1.210101465);(155.03388,1.136958406);(169.0131449,1.776616693);(170.0209695,1.481502829);(171.0287941,0.9693373063);(275.0186223,1.310302787);(276.0264469,1.075198711);(277.0342715,4.364050005);(278.0376685,0.6524055918);(278.0420961,0.7084942761);(303.0135364,2.004982513);(304.021361,1.084002244);(305.0291856,4.589771993);(306.0325816,0.7392482473);(306.0370102,0.7266937229);(307.0448348,0.5346356815);(428.0374017,0.5883860916);(429.0452263,0.5351161885);(430.0530509,0.923389428);(456.0323158,0.4992311307);(457.0401404,1.276355298) | |
| Predicted GC-MS | GC-MS | Positive | Not Available | View Spectrum | (71.03115062,0.4651268107);(73.04679982,3.764916189);(74.05462442,0.5810072579);(89.04171392,0.7426404342);(124.0154921,0.8022727416);(125.0233167,3.209828354);(126.0311413,0.5286586217);(151.0025816,1.585995903);(152.0104062,0.6886925965);(153.0182308,25.15045749);(154.0216295,2.027306528);(225.0577546,0.6929801847);(313.0921925,0.7401258875);(314.1000171,0.8004966494);(348.0659707,0.650075366);(349.0737953,1.581875798);(376.0608848,0.5622691901);(377.0687094,18.41791178);(378.0713275,4.539655695);(379.0702004,1.435999164);(537.1426711,0.6032238998);(573.1242739,0.4604337913);(601.119188,0.5071561047);(617.1141021,1.345265288);(618.1165692,0.5552296146);(618.1219267,1.444458181);(619.1243952,0.5963860713);(619.1297513,0.7357839088);(675.1379767,1.904198145);(676.1401901,0.9266798703);(677.1392664,0.4572311751) | |
| Predicted GC-MS | GC-MS | Ei | Not Available | View Spectrum | (124.0154921,1.180899598);(125.0233167,5.416640638);(126.0311413,0.77815526);(127.0389659,0.8204315465);(135.0076675,1.331115363);(137.0233167,1.703177815);(151.0025816,2.882652522);(152.0104062,1.691072156);(153.0182308,33.41927394);(154.0216295,2.6938322);(154.0260554,1.210101465);(155.03388,1.136958406);(169.0131449,1.776616693);(170.0209695,1.481502829);(171.0287941,0.9693373063);(275.0186223,1.310302787);(276.0264469,1.075198711);(277.0342715,4.364050005);(278.0376685,0.6524055918);(278.0420961,0.7084942761);(303.0135364,2.004982513);(304.021361,1.084002244);(305.0291856,4.589771993);(306.0325816,0.7392482473);(306.0370102,0.7266937229);(307.0448348,0.5346356815);(428.0374017,0.5883860916);(429.0452263,0.5351161885);(430.0530509,0.923389428);(456.0323158,0.4992311307);(457.0401404,1.276355298) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (109.0289544,1.552137642);(111.0446045,0.2687075623);(125.023869,3.031869232);(127.0395191,0.3366918355);(137.023869,1.827202244);(153.0187836,21.57844447);(155.0344337,1.250125247);(171.0293483,0.8091466754);(259.0242629,2.685074269);(261.039913,0.9587692215);(275.0191776,0.4636820171);(277.0348276,2.254355784);(287.0191776,1.304280204);(289.0348276,0.7457709588);(303.0140922,1.226782439);(303.0140922,1.10489961);(305.0297422,9.373031147);(305.0297422,6.826205607);(307.0453923,0.9928528495);(323.0403069,0.6332913249);(403.0301362,0.4465832817);(427.0301362,0.8713413318);(429.0457862,6.454029432);(431.0250508,0.2968952145);(431.0614363,0.9778220962);(439.0301362,0.5061487983);(443.0250508,0.7315731615);(445.0407009,1.318502894);(457.0407009,0.7239637473);(457.0407009,8.17995774);(475.0512655,20.26986196) | |
| Predicted LC-MS/MS | Not Available | Positive | med | View Spectrum | (109.0289544,3.960615245);(125.023869,6.724309965);(127.0395191,0.5834106008);(137.023869,4.078924598);(153.0187836,28.71174402);(155.0344337,0.5711792509);(213.039913,0.6590906337);(247.0242629,0.8694985602);(259.0242629,3.21381303);(261.039913,2.009363042);(275.0191776,0.6232322068);(277.0348276,3.29116091);(287.0191776,2.016361898);(289.0348276,1.256669169);(303.0140922,0.7026933063);(303.0140922,0.9395594618);(305.0297422,12.33147316);(305.0297422,4.354055661);(411.0352216,0.6135015797);(417.0457862,0.7523803263);(419.0614363,0.6471265606);(427.0301362,0.6908463879);(429.0457862,5.522177941);(431.0614363,1.069437805);(439.0301362,0.8240719154);(443.0250508,0.7988952539);(445.0407009,0.564362582);(445.0407009,2.273782992);(457.0407009,0.8107412805);(457.0407009,4.936607518);(475.0512655,3.598913143) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (67.01838972,1.377602042);(69.03403978,0.8917995098);(80.99765427,1.510683841);(83.01330434,0.6088575628);(95.01330434,1.059839354);(97.0289544,5.660910266);(109.0289544,7.634500765);(111.008219,0.8634073727);(123.008219,4.792126597);(125.023869,10.18896691);(127.0395191,0.983316533);(137.023869,7.87830747);(139.0395191,0.7410862504);(153.0187836,27.53580697);(155.0344337,0.6257963751);(217.0136983,1.190610462);(219.0293483,1.0838804);(247.0242629,4.605297411);(249.039913,1.039665108);(259.0242629,6.582608043);(261.039913,1.130045919);(275.0191776,1.616688539);(275.0191776,0.6595054516);(277.0348276,0.6498897404);(287.0191776,0.7954222591);(289.0348276,0.815722601);(303.0140922,1.768324134);(305.0297422,2.298259964);(369.0246569,0.8985599289);(431.0250508,0.593556025);(457.0407009,1.918956194) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (96.99256889,0.2698807769);(107.0133043,0.3985666657);(123.008219,0.3601697822);(125.023869,5.019539608);(151.0031336,3.43377879);(166.9980482,0.5958300079);(169.0136983,10.58347194);(249.0035275,0.2507416565);(251.0191776,0.1765879434);(259.0242629,0.2546486197);(263.0191776,0.3146914329);(275.0191776,0.2985525342);(277.0348276,4.302799528);(300.9984421,0.2446161506);(303.0140922,3.152383412);(319.0090068,0.5508703137);(321.0246569,8.812365123);(387.0352216,0.2583420006);(401.0144861,1.687492942);(411.0352216,0.9467455289);(413.0144861,0.2607662258);(415.0301362,0.7386560018);(427.0301362,0.3981939369);(429.0457862,14.46077234);(431.0250508,0.1986654967);(443.0250508,0.5011462374);(443.0250508,0.603671906);(455.0250508,0.1887733352);(455.0250508,2.60124892);(457.0043153,0.2854194341);(473.0356155,37.85061141) | |
| Predicted LC-MS/MS | Not Available | Negative | med | View Spectrum | (83.01330434,1.57148514);(95.01330434,1.054477766);(97.0289544,1.472507287);(107.0133043,5.092188455);(109.0289544,2.224199391);(111.008219,1.84387141);(123.008219,1.184624888);(125.023869,9.020329428);(127.0031336,1.031052672);(127.0395191,0.77941455);(135.008219,1.020847272);(141.0187836,3.269648793);(151.0031336,7.698006966);(153.0187836,1.443677982);(169.0136983,9.679348824);(235.0242629,0.9098531226);(259.0242629,2.968704625);(261.0035275,0.9025751645);(261.039913,1.635231968);(277.0348276,5.004096813);(303.0140922,4.70159287);(321.0246569,5.33523167);(411.0352216,1.335894986);(413.0144861,2.690014494);(415.0301362,2.37211233);(427.0301362,1.009877287);(429.0457862,9.250328139);(431.0250508,0.9538098316);(455.0250508,2.99950127);(457.0043153,1.232529397);(473.0356155,8.312965209) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (44.99765427,1.344793037);(67.01838972,1.224249796);(68.99765427,1.128410516);(95.01330434,2.347042983);(97.0289544,1.693495895);(107.0133043,3.549093391);(109.0289544,1.441860119);(111.008219,3.430022615);(123.008219,5.213436966);(125.023869,13.83919192);(135.008219,1.397587494);(151.0031336,13.06588409);(153.0187836,3.62542325);(155.0344337,1.288617973);(169.0136983,21.55968581);(178.9980482,1.084537676);(194.9929628,2.12395364);(235.0242629,1.360053474);(251.0191776,0.9960711996);(261.0035275,1.649952056);(273.0035275,1.363330746);(277.0348276,2.146694358);(300.9984421,0.997363559);(303.0140922,2.248496595);(321.0246569,2.080513177);(398.998836,1.200059822);(401.0144861,1.335951734);(403.0301362,0.9729583375);(413.0144861,1.180858054);(443.0250508,1.639151249);(455.0250508,1.471258465) | |
| Predicted LC-MS/MS | Not Available | Positive | low | View Spectrum | (125.02332,13.18);(125.02332,13.18);(125.02332,13.18);(125.02332,13.18);(125.02332,13.18);(125.02332,13.18);(125.02332,13.18);(135.00767,9.41);(153.01824,39.63);(153.01824,39.63);(153.01824,39.63);(153.01824,39.63);(153.01824,39.63);(153.01824,39.63);(153.01824,39.63);(153.01824,39.63);(153.01824,39.63);(171.0288,9.18);(171.0288,9.18);(171.0288,9.18);(171.0288,9.18);(197.00806,6.97);(197.00806,6.97);(305.02919,20.78);(305.02919,20.78);(305.02919,20.78);(305.02919,20.78);(305.02919,20.78);(305.02919,20.78);(305.02919,20.78);(305.02919,20.78);(305.02919,20.78);(305.02919,20.78);(307.04484,7.09);(307.04484,7.09);(307.04484,7.09);(307.04484,7.09);(323.03976,15.88);(323.03976,15.88);(349.01902,12.05);(349.01902,12.05);(349.01902,12.05);(349.01902,12.05);(457.04015,76.25);(457.04015,76.25);(457.04015,76.25);(457.04015,76.25);(457.04015,76.25);(457.04015,76.25);(457.04015,76.25);(457.04015,76.25);(457.04015,76.25);(457.04015,76.25);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | medium | View Spectrum | (97.02841,12.24);(97.02841,12.24);(97.02841,12.24);(97.02841,12.24);(109.02841,15.19);(125.02332,17.23);(125.02332,17.23);(125.02332,17.23);(125.02332,17.23);(125.02332,17.23);(125.02332,17.23);(125.02332,17.23);(135.00767,22.17);(137.02332,18.23);(137.02332,18.23);(153.01824,75.52);(153.01824,75.52);(153.01824,75.52);(153.01824,75.52);(153.01824,75.52);(153.01824,75.52);(153.01824,75.52);(153.01824,75.52);(153.01824,75.52);(259.02371,12.32);(289.03428,12.95);(289.03428,12.95);(289.03428,12.95);(303.01354,16.04);(303.01354,16.04);(303.01354,16.04);(305.02919,90.92);(305.02919,90.92);(305.02919,90.92);(305.02919,90.92);(305.02919,90.92);(305.02919,90.92);(305.02919,90.92);(305.02919,90.92);(305.02919,90.92);(305.02919,90.92);(321.02411,12.07);(321.02411,12.07);(323.03976,28.05);(323.03976,28.05);(349.01902,21.19);(349.01902,21.19);(349.01902,21.19);(349.01902,21.19);(389.05032,20.11);(413.05032,13.41);(417.04524,18.54);(417.04524,18.54);(417.04524,18.54);(419.06089,72.24);(419.06089,72.24);(419.06089,72.24);(419.06089,72.24);(429.04524,29.5);(429.04524,29.5);(429.04524,29.5);(447.0558,16.65);(447.0558,16.65);(447.0558,16.65);(447.0558,16.65);(447.0558,16.65);(447.0558,16.65);(457.04015,97.34);(457.04015,97.34);(457.04015,97.34);(457.04015,97.34);(457.04015,97.34);(457.04015,97.34);(457.04015,97.34);(457.04015,97.34);(457.04015,97.34);(457.04015,97.34);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0);(475.05072,100.0) | |
| Predicted LC-MS/MS | Not Available | Positive | high | View Spectrum | (41.03858,20.95);(55.01784,9.45);(67.01784,17.86);(69.03349,24.47);(69.03349,24.47);(85.02841,14.77);(85.02841,14.77);(95.01276,14.45);(97.02841,28.23);(97.02841,28.23);(97.02841,28.23);(97.02841,28.23);(99.04406,11.96);(109.02841,63.6);(111.04406,11.53);(111.04406,11.53);(125.02332,46.2);(125.02332,46.2);(125.02332,46.2);(125.02332,46.2);(125.02332,46.2);(125.02332,46.2);(125.02332,46.2);(129.05462,9.79);(129.05462,9.79);(129.05462,9.79);(137.02332,20.4);(137.02332,20.4);(151.00258,10.56);(151.00258,10.56);(151.00258,10.56);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(153.01824,100.0);(155.03389,18.68);(155.03389,18.68);(155.03389,18.68);(155.03389,18.68);(155.03389,18.68);(155.03389,18.68);(169.01315,9.9);(169.01315,9.9);(169.01315,9.9);(169.01315,9.9);(277.03428,15.68);(277.03428,15.68);(277.03428,15.68);(277.03428,15.68);(277.03428,15.68);(305.02919,13.39);(305.02919,13.39);(305.02919,13.39);(305.02919,13.39);(305.02919,13.39);(305.02919,13.39);(305.02919,13.39);(305.02919,13.39);(305.02919,13.39);(305.02919,13.39);(377.05032,9.29);(377.05032,9.29);(389.05032,10.29);(398.99829,9.42);(398.99829,9.42);(398.99829,9.42);(398.99829,9.42);(401.01394,25.79);(401.01394,25.79);(401.01394,25.79);(401.01394,25.79);(403.02959,27.41);(403.02959,27.41);(403.02959,27.41);(403.02959,27.41);(403.02959,27.41);(405.04524,11.34);(405.04524,11.34);(405.04524,11.34);(405.04524,11.34);(405.04524,11.34);(413.01394,12.62);(413.01394,12.62);(413.01394,12.62);(415.02959,24.39);(415.02959,24.39);(415.02959,24.39);(415.02959,24.39);(417.04524,9.21);(417.04524,9.21);(417.04524,9.21);(419.06089,12.68);(419.06089,12.68);(419.06089,12.68);(419.06089,12.68);(457.04015,9.32);(457.04015,9.32);(457.04015,9.32);(457.04015,9.32);(457.04015,9.32);(457.04015,9.32);(457.04015,9.32);(457.04015,9.32);(457.04015,9.32);(457.04015,9.32) | |
| Predicted LC-MS/MS | Not Available | Negative | low | View Spectrum | (123.00877,26.11);(123.00877,26.11);(123.00877,26.11);(123.00877,26.11);(125.02442,6.68);(125.02442,6.68);(125.02442,6.68);(125.02442,6.68);(125.02442,6.68);(151.00368,10.72);(151.00368,10.72);(151.00368,10.72);(151.00368,10.72);(151.00368,10.72);(169.01425,8.56);(169.01425,8.56);(169.01425,8.56);(169.01425,8.56);(303.01464,16.89);(303.01464,16.89);(303.01464,16.89);(303.01464,16.89);(303.01464,16.89);(303.01464,16.89);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(429.04633,44.98);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(455.0256,9.02);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0);(473.03616,100.0) | |
| Predicted LC-MS/MS | Not Available | Negative | medium | View Spectrum | (97.0295,15.01);(97.0295,15.01);(97.0295,15.01);(107.01385,32.63);(109.0295,20.06);(123.00877,98.76);(123.00877,98.76);(123.00877,98.76);(123.00877,98.76);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(125.02442,100.0);(135.00877,18.25);(151.00368,52.03);(151.00368,52.03);(151.00368,52.03);(151.00368,52.03);(151.00368,52.03);(153.01933,29.83);(153.01933,29.83);(153.01933,29.83);(153.01933,29.83);(153.01933,29.83);(153.01933,29.83);(153.01933,29.83);(153.01933,29.83);(153.01933,29.83);(166.9986,21.8);(166.9986,21.8);(169.01425,32.84);(169.01425,32.84);(169.01425,32.84);(169.01425,32.84);(259.02481,27.1);(261.04046,19.06);(277.03538,20.18);(303.01464,42.59);(303.01464,42.59);(303.01464,42.59);(303.01464,42.59);(303.01464,42.59);(303.01464,42.59);(305.03029,25.52);(305.03029,25.52);(305.03029,25.52);(305.03029,25.52);(305.03029,25.52);(305.03029,25.52);(305.03029,25.52);(321.02521,23.72);(321.02521,23.72);(321.02521,23.72);(411.03577,84.97);(411.03577,84.97);(411.03577,84.97);(411.03577,84.97);(413.01503,23.08);(413.01503,23.08);(413.01503,23.08);(413.01503,23.08);(413.01503,23.08);(413.01503,23.08);(413.01503,23.08);(413.01503,23.08);(413.01503,23.08);(417.04633,32.0);(417.04633,32.0);(417.04633,32.0);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(429.04633,35.91);(445.04125,20.98);(445.04125,20.98);(445.04125,20.98);(445.04125,20.98);(445.04125,20.98);(445.04125,20.98);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(455.0256,42.29);(471.02051,21.69);(471.02051,21.69);(471.02051,21.69);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91);(473.03616,24.91) | |
| Predicted LC-MS/MS | Not Available | Negative | high | View Spectrum | (41.00329,20.01);(44.9982,22.32);(67.01894,20.31);(97.0295,18.19);(97.0295,18.19);(97.0295,18.19);(101.02442,6.99);(109.0295,10.34);(123.00877,30.51);(123.00877,30.51);(123.00877,30.51);(123.00877,30.51);(125.02442,32.19);(125.02442,32.19);(125.02442,32.19);(125.02442,32.19);(125.02442,32.19);(135.00877,7.09);(137.02442,12.62);(137.02442,12.62);(151.00368,13.94);(151.00368,13.94);(151.00368,13.94);(151.00368,13.94);(151.00368,13.94);(153.01933,14.66);(153.01933,14.66);(153.01933,14.66);(153.01933,14.66);(153.01933,14.66);(153.01933,14.66);(153.01933,14.66);(153.01933,14.66);(153.01933,14.66);(169.01425,22.79);(169.01425,22.79);(169.01425,22.79);(169.01425,22.79);(209.00916,8.34);(209.00916,8.34);(249.00408,10.48);(249.00408,10.48);(249.00408,10.48);(251.01973,100.0);(251.01973,100.0);(251.01973,100.0);(253.03538,55.72);(253.03538,55.72);(261.04046,6.79);(263.01973,11.11);(263.01973,11.11);(263.01973,11.11);(263.01973,11.11);(263.01973,11.11);(263.01973,11.11);(263.01973,11.11);(275.01973,13.59);(275.01973,13.59);(275.01973,13.59);(275.01973,13.59);(356.98882,8.59);(356.98882,8.59);(361.02012,6.84);(361.02012,6.84);(361.02012,6.84);(361.02012,6.84);(401.01503,30.13);(401.01503,30.13);(401.01503,30.13);(401.01503,30.13);(401.01503,30.13);(401.01503,30.13);(403.03068,38.66);(403.03068,38.66);(403.03068,38.66);(403.03068,38.66);(403.03068,38.66);(403.03068,38.66);(403.03068,38.66);(413.01503,24.13);(413.01503,24.13);(413.01503,24.13);(413.01503,24.13);(413.01503,24.13);(413.01503,24.13);(413.01503,24.13);(413.01503,24.13);(413.01503,24.13);(415.03068,22.23);(415.03068,22.23);(415.03068,22.23);(417.04633,14.69);(417.04633,14.69);(417.04633,14.69);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(431.0256,15.64);(445.04125,7.38);(445.04125,7.38);(445.04125,7.38);(445.04125,7.38);(445.04125,7.38);(445.04125,7.38);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81);(455.0256,6.81) |
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