PhytoHub: Showing entry for 5-Hydroxymethyl-2-furoic acid

5-Hydroxymethyl-2-furoic acid

Identification

PhytoHub ID

PHUB001892

Name

5-Hydroxymethyl-2-furoic acid

Systematic Name

Not Available

Synonyms

5-(Hydroxymethyl)-2-furancarboxylic acid
5-(Hydroxymethyl)furoic acid
Sumikis' acid

CAS Number

Not Available

Average Mass

142.11

Monoisotopic Mass

142.026608673

Chemical Formula

C₆H₆O₄

IUPAC Name

5-(hydroxymethyl)furan-2-carboxylic acid

InChI Key

PCSKKIUURRTAEM-UHFFFAOYSA-N

InChI Identifier

InChI=1S/C6H6O4/c7-3-4-1-2-5(10-4)6(8)9/h1-2,7H,3H2,(H,8,9)

SMILES

OCC1=CC=C(O1)C(O)=O

Structure

Similar Structures

Calculated Properties

Solubility (ALOGPS): 3.09e+01 g/l
LogS (ALOGPS): -0.66
LogP (ALOGPS): 0.11
Hydrogen Acceptors: 3
Hydrogen Donors: 2
Rotatable Bond Count: 2
Polar Surface Area: 70.67
Refractivity: 32.3985
Polarizability: 13.008186073021344
Formal Charge: 0
Physiological Charge: -1
pKa (strongest basic): -3.152148739312927
pKa (strongest acidic): 3.1124562891214937
Number of Rings: 1
Rule of Five: Yes
Bioavailability: Yes
Ghose Filter: No
Veber's Rule: No
MDDR-like Rule: No

External Links

No external links

Taxonomy as Food Phytochemical

Family: Miscellaneous phytochemicals
Class: Not Available
Sub-class: Not Available

Taxonomy as Metabolite

Metabolite Family: Miscellaneous phytochemical metabolites
Metabolite Class: Miscellaneous phytochemical metabolites
Metabolite Sub-class: Not Available

Classyfire Taxonomy

Kingdom Name: Organic compounds
Class: Furans
Super-class: Organoheterocyclic compounds
Sub-class: Furoic acid and derivatives
Direct Parent Name: Furoic acids
Alternative Parent Names: ["Aromatic alcohols", "Carboxylic acids", "Heteroaromatic compounds", "Hydrocarbon derivatives", "Monocarboxylic acids and derivatives", "Organic oxides", "Oxacyclic compounds", "Primary alcohols"]
External Descriptor Annotations: Not Available
Substituent Names: ["Alcohol", "Aromatic alcohol", "Aromatic heteromonocyclic compound", "Carboxylic acid", "Carboxylic acid derivative", "Furoic acid", "Heteroaromatic compound", "Hydrocarbon derivative", "Monocarboxylic acid or derivatives", "Organic oxide", "Organic oxygen compound", "Organooxygen compound", "Oxacycle", "Primary alcohol"]

Spectra from Phytohub

Spectrum Type	Instrument Type	Ion Mode	Collision Energy Level	View	Peaks

Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(25.00727602,2.891209602);(26.01510062,1.390280578);(27.02292522,2.41777087);(31.01783932,1.365285924);(44.99710422,1.793961285);(51.02292522,1.095988328);(59.01275342,1.112954389);(67.01783932,1.619773847);(68.02566392,2.215181108);(69.03348852,6.626349434);(70.00492882,1.650512146);(70.04131312,1.259810399);(71.01275342,1.044946523);(81.03348852,1.036826233);(82.00492882,1.410265523);(83.01275342,1.885481822);(84.02057802,1.188456837);(94.00492882,1.554723929);(95.01275342,1.72664922);(96.02057802,2.782054561);(97.02840262,1.977714094);(98.03622722,3.194168891);(106.0049288,1.199556116);(107.0127534,1.637307037);(112.0154921,1.75444537);(114.0311413,1.056105277);(124.0154921,8.570782468);(125.0233167,4.685977373);(140.0104062,1.040232587);(141.0182308,1.387825693);(142.0260554,6.086998499)
Predicted GC-MS	GC-MS	Positive	Not Available	View Spectrum	(25.00727602,1.358676245);(27.02292522,2.65468602);(59.03115062,1.880917126);(71.03115062,1.679633821);(73.04679982,11.61789076);(74.04796012,0.9940991864);(74.05462442,1.227190828);(75.02606472,1.616783716);(75.06244902,2.173330358);(89.04171392,3.799745695);(91.05736312,0.9614364737);(117.036628,1.209235529);(131.0522772,1.082945732);(141.0730123,5.464224077);(145.0679264,0.7433520597);(155.0522772,1.302136118);(168.0601018,0.8124872022);(169.0679264,1.723046804);(183.0471913,0.8986510188);(196.0550159,1.629899953);(197.0628405,9.527868023);(198.0649975,1.471622443);(199.0421054,1.330075374);(213.0577546,2.108130077);(214.0655792,1.532063507);(215.0734038,1.656483452);(269.1023643,0.7628351911);(270.0738046,0.9072324752);(271.0816292,5.184053767);(272.08335,1.185861074);(286.105103,1.002667993)
Predicted GC-MS	GC-MS	Ei	Not Available	View Spectrum	(25.00727602,2.891209602);(26.01510062,1.390280578);(27.02292522,2.41777087);(31.01783932,1.365285924);(44.99710422,1.793961285);(51.02292522,1.095988328);(59.01275342,1.112954389);(67.01783932,1.619773847);(68.02566392,2.215181108);(69.03348852,6.626349434);(70.00492882,1.650512146);(70.04131312,1.259810399);(71.01275342,1.044946523);(81.03348852,1.036826233);(82.00492882,1.410265523);(83.01275342,1.885481822);(84.02057802,1.188456837);(94.00492882,1.554723929);(95.01275342,1.72664922);(96.02057802,2.782054561);(97.02840262,1.977714094);(98.03622722,3.194168891);(106.0049288,1.199556116);(107.0127534,1.637307037);(112.0154921,1.75444537);(114.0311413,1.056105277);(124.0154921,8.570782468);(125.0233167,4.685977373);(140.0104062,1.040232587);(141.0182308,1.387825693);(142.0260554,6.086998499)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(97.0297,9.53);(141.0197,90.47)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0191,1.830183018);(97.0297,12.42124212);(141.0196,85.74857486)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0191,3.239676032);(69.0348,1.389861014);(97.0297,17.78822118);(141.0196,77.58224178)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0192,5.150515052);(69.0348,2.200220022);(97.0297,22.90229023);(141.0196,69.7469747)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0192,8.06);(69.0348,2.97);(97.0297,27.86);(141.0196,61.11)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0191,10.0289971);(69.0348,4.95950405);(79.0191,0.8299170083);(97.0297,38.45615438);(141.0196,45.72542746)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0192,11.25112511);(69.0348,6.150615062);(79.0191,0.9400940094);(97.0297,42.89428943);(141.0197,38.76387639)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0192,12.22);(69.0348,7.67);(79.0191,1.16);(97.0297,47.99);(141.0197,30.96)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0192,13.74);(69.0348,11.33);(79.0191,1.43);(97.0297,54.09);(141.0197,19.41)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(67.0192,13.72137214);(69.0348,18.44184418);(79.0191,1.850185019);(97.0297,57.03570357);(141.0197,8.95089509)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(58.0063,0.98);(67.0192,11.9);(69.0348,26.39);(79.0191,2.04);(95.014,0.73);(97.0297,54.18);(141.0196,3.78)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(58.0063,2.390239024);(67.0192,9.250925093);(69.0348,37.58375838);(79.0191,2.500250025);(95.014,1.290129013);(97.0297,45.70457046);(141.0196,1.280128013)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(58.0063,5.33);(67.0191,7.46);(69.0348,45.85);(79.0191,2.83);(95.014,1.85);(97.0297,36.68)
LC-MS/MS	Orbitrap	negative	low	View Spectrum	(58.0063,12.02120212);(67.0191,7.260726073);(69.0348,50.89508951);(79.019,3.310331033);(95.014,2.99029903);(97.0297,22.46224622);(141.0158,1.060106011)
LC-MS/MS	n/a	negative	low	View Spectrum	(67.0192,1.51);(69.0348,19.21);(79.0191,2.46);(97.0297,76.82)
LC-MS/MS	n/a	negative	low	View Spectrum	(67.0,4.28);(69.0,84.03);(79.0,11.7)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(125.0231,31.98);(141.9584,0.69);(143.0337,64.11);(143.0728,0.86);(143.1063,0.76);(144.0805,1.6)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(125.023,41.58);(141.9583,0.55);(143.0336,54.47);(143.0727,1.01);(143.1063,0.89);(144.0804,1.5)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(125.023,57.67576758);(143.0336,39.5639564);(143.0727,1.04010401);(144.0804,1.720172017)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(125.023,73.15);(143.0336,24.09);(143.0727,1.16);(144.0805,1.6)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(125.0231,82.43);(143.0336,13.81);(143.0727,1.0);(143.1064,1.15);(144.0805,1.61)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(97.028,1.280128013);(125.0231,89.11891189);(143.0336,7.080708071);(143.0727,1.02010201);(144.0805,1.500150015)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(79.0174,1.24);(97.028,2.48);(125.023,90.18);(143.0336,3.66);(143.0727,0.93);(144.0805,1.51)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(79.0174,2.7);(97.028,4.68);(125.023,88.21);(143.0336,1.7);(143.0726,0.93);(144.0805,1.78)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(69.0331,0.8899110089);(79.0174,4.929507049);(97.028,7.389261074);(125.023,83.18168183);(143.0336,0.8699130087);(143.0727,1.119888011);(144.0805,1.619838016)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(69.0331,1.610161016);(79.0174,8.530853085);(97.028,11.30113011);(125.0231,75.84758476);(143.0727,1.050105011);(144.0805,1.660166017)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(69.0331,2.57);(79.0174,13.3);(97.028,14.51);(125.0231,66.88);(143.0726,1.01);(144.0805,1.73)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(51.0226,1.21);(53.0383,0.74);(56.9419,0.57);(69.0331,5.32);(79.0174,25.27);(81.0331,0.58);(97.028,18.62);(125.023,44.87);(143.0727,1.13);(144.0805,1.69)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,1.589841016);(51.0226,4.169583042);(53.0383,1.539846015);(56.9419,0.7199280072);(69.0331,8.679132087);(79.0174,42.29577042);(81.0331,0.9099090091);(97.028,16.69833017);(115.054,0.6399360064);(125.0231,20.0779922);(143.0727,0.9499050095);(144.0805,1.729827017)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,3.789621038);(51.0226,9.779022098);(53.0383,2.749725027);(56.9419,1.04989501);(69.0331,10.2089791);(79.0174,49.36506349);(81.0331,0.8799120088);(97.028,10.72892711);(115.0539,1.00989901);(125.023,7.539246075);(128.0492,0.599940006);(143.0727,0.8499150085);(144.0805,1.449855014)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,9.630963096);(51.0226,20.53205321);(53.0383,3.300330033);(55.9341,0.4300430043);(56.9419,1.240124012);(69.0331,8.370837084);(77.013,0.5700570057);(79.0174,42.18421842);(81.0331,0.4800480048);(97.028,4.520452045);(103.0539,0.7600760076);(105.0443,0.4800480048);(115.0539,1.450145015);(116.0619,0.9200920092);(117.057,0.6300630063);(125.0231,1.820182018);(128.0493,0.7900790079);(128.0618,0.4600460046);(143.0731,0.6500650065);(144.0809,0.7800780078)
LC-MS/MS	n/a	positive	low	View Spectrum	(125.0231,100.0)
LC-MS/MS	n/a	positive	low	View Spectrum	(69.0,1.71);(79.0,12.08);(97.0,86.21)
LC-MS/MS	n/a	positive	low	View Spectrum	(69.0,100.0)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(79.0175,2.86);(97.0281,5.58);(125.0231,91.57)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(69.0332,0.94);(79.0175,5.49);(97.0281,9.46);(125.0231,84.1)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(69.0332,1.69);(79.0175,9.8);(97.0281,13.96);(125.0231,74.55)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(69.0331,2.95);(79.0175,15.76);(97.0281,17.91);(125.0231,63.38)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(51.0227,0.76);(69.0331,4.36);(79.0175,22.8);(81.0331,0.55);(97.0281,20.98);(125.0231,50.56)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,0.45);(51.0227,1.02);(53.0383,0.56);(69.0331,5.91);(79.0175,30.22);(81.0331,0.72);(97.0281,22.36);(125.0231,38.76)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,0.76);(51.0227,1.67);(53.0383,0.95);(69.0331,7.47);(79.0175,37.74);(81.0331,0.83);(97.0281,21.69);(125.0231,28.9)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,1.67);(51.0227,4.16);(53.0383,1.84);(69.0331,9.91);(79.0175,49.54);(81.0331,0.94);(97.0281,17.51);(125.0231,14.44)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,4.54);(51.0227,9.84);(53.0383,2.61);(69.0331,10.8);(79.0175,56.56);(81.0331,0.84);(97.0281,10.11);(125.0231,4.71)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,8.98);(51.0226,19.92);(53.0383,3.34);(69.0331,9.5);(79.0175,51.42);(81.0331,0.58);(97.0281,4.86);(125.0231,1.4)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,17.77);(51.0226,35.12);(53.0383,3.32);(65.0019,0.59);(69.0331,5.83);(77.0131,1.0);(79.0175,34.9);(97.0281,1.47)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,27.55);(51.0226,45.82);(53.0383,2.8);(65.0019,1.13);(66.0097,0.49);(69.0331,2.94);(77.0131,1.74);(79.0175,17.53)
LC-MS/MS	Orbitrap	positive	low	View Spectrum	(50.0148,37.75);(51.0226,47.45);(52.0305,0.66);(53.0383,1.45);(65.0019,1.79);(66.0097,0.91);(69.0331,0.93);(77.013,3.33);(79.0175,5.73)
LC-MS/MS	n/a	positive	low	View Spectrum	(69.0332,1.62);(79.0175,10.55);(97.0281,87.83)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(43.01905,13.6);(44.9965,5.2);(55.01852,18.7);(56.99483,2.7);(59.01328,26.1);(59.98493,13.4);(60.99174,1.5);(71.01356,9.1);(72.99214,100.0);(78.95989,3.0);(83.01405,1.4);(87.00777,1.9);(96.95968,1.2);(99.00947,13.7);(117.03087,1.1)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(41.00301,33.4);(43.01852,23.8);(43.57865,5.6);(44.99915,34.1);(55.02757,17.9);(56.99815,12.6);(59.01337,82.9);(59.98354,100.0);(61.98683,32.4);(64.30557,2.3);(72.99092,18.8);(78.96787,6.9);(101.96958,6.0)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.02435,2.6);(41.03918,1.4);(51.02466,22.8);(53.04076,6.5);(69.03552,22.6);(79.02012,100.0);(97.03123,27.8);(125.02666,27.5)
LC-MS/MS	Not Available	Negative	Not Available	View Spectrum	(43.01828,4.0);(44.99785,2.2);(55.01725,2.9);(56.99668,3.0);(59.01383,4.5);(67.01581,2.0);(71.01381,3.0);(72.99253,100.0);(83.01136,1.1);(87.00869,2.0);(99.00856,11.0);(108.98965,6.6);(117.01737,4.8);(127.00188,1.2);(139.00184,5.8);(141.01531,1.3)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(39.02304,1.5);(41.04001,2.6);(44.99905,4.1);(50.01654,8.7);(51.02454,100.0);(52.03296,2.1);(53.04058,4.9);(69.03576,3.8);(79.02028,19.5)
LC-MS/MS	Not Available	Positive	Not Available	View Spectrum	(51.02443,1.1);(53.03927,1.1);(69.03563,1.5);(79.02045,10.7);(97.03143,9.9);(125.02588,100.0)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(19.01838972,0.109776869);(31.01838972,0.0999848508);(41.03912516,0.0049911919);(43.01838972,0.0019270066);(44.99765427,0.1662060736);(45.03403978,0.0012129154);(47.01330434,0.0724356508);(49.0289544,0.0387403856);(51.0234751,0.0148646629);(55.01838972,0.0095432637);(56.99765427,0.0320988074);(59.01330434,0.0083641592);(67.01838972,0.6823569135);(69.03403978,0.2052608682);(71.01330434,0.0345931811);(73.0289544,0.1939888308);(79.01838972,0.0098746995);(81.03403978,0.1360468182);(83.01330434,0.0713630979);(85.0289544,0.0970522058);(87.04460446,0.0698047278);(89.02386902,0.1187649777);(95.01330434,0.2345897826);(97.0289544,2.567366258);(99.00821896,0.0354793247);(99.04460446,0.3278077487);(101.023869,0.0364744994);(107.0133043,0.4435382954);(113.023869,0.3174065778);(125.023869,52.28885919);(143.0344337,41.56922617)
Predicted LC-MS/MS	Not Available	Positive	med	View Spectrum	(19.01838972,0.1378506659);(27.0234751,0.0210247173);(31.01838972,0.2107224369);(41.03912516,0.2391944181);(43.01838972,0.005187036);(44.99765427,0.0901501537);(45.03403978,0.1865761313);(47.01330434,0.0571604016);(51.0234751,0.2246111204);(55.01838972,0.0862096596);(56.99765427,0.0150512529);(57.03403978,0.0229036519);(67.01838972,2.106319363);(69.03403978,1.807046227);(71.01330434,0.0632156833);(73.0289544,0.1054133011);(79.01838972,0.1797221223);(81.03403978,1.089234267);(83.01330434,0.3221060681);(85.0289544,0.39421442);(87.04460446,0.0600718415);(89.02386902,0.0149772663);(95.01330434,0.7047403527);(97.0289544,22.94551358);(99.00821896,0.2818489718);(99.04460446,1.412132068);(101.023869,0.3800490896);(107.0133043,0.061376079);(113.023869,0.6677699027);(125.023869,48.31187298);(143.0344337,17.79573476)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(27.0234751,0.9794364511);(31.01838972,0.8438955463);(41.03912516,2.225553967);(43.01838972,0.6323000867);(43.05477522,0.1933143867);(44.99765427,2.833629472);(47.01330434,0.1721872017);(51.0234751,3.986477018);(55.01838972,16.76970399);(56.99765427,1.447724441);(57.03403978,1.772122247);(59.01330434,1.024095832);(67.01838972,11.88657486);(69.03403978,4.377450793);(71.01330434,3.221998975);(73.0289544,3.667732678);(79.01838972,1.134314206);(81.03403978,4.13429691);(83.01330434,12.00506078);(85.0289544,1.113676938);(87.04460446,0.2649998682);(89.02386902,0.5608451692);(95.01330434,3.141323623);(97.0289544,2.653291288);(99.00821896,5.817271275);(99.04460446,0.4471724585);(101.023869,1.61671745);(107.0133043,2.809228541);(113.023869,1.179210119);(125.023869,6.863094871);(143.0344337,0.2252985604)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(17.00273965,0.1197964604);(25.00782503,0.0009446042);(29.00273965,0.509049097);(39.0234751,0.022397903);(41.00273965,2.948566887);(41.03912516,0.0005954772);(43.01838972,0.1547447812);(44.99765427,0.2745111967);(49.00782503,0.013204761);(53.00273965,0.0045688005);(55.01838972,0.0023581204);(65.00273965,0.0833028917);(67.01838972,1.22488682);(68.99765427,0.0576696487);(71.01330434,0.0792556533);(77.00273965,0.0012102193);(79.01838972,0.8554597758);(80.99765427,0.0008640577);(83.01330434,0.262190185);(85.0289544,0.0210374339);(87.00821896,0.1788334459);(92.99765427,0.0593307608);(95.01330434,2.632396994);(96.99256889,0.0103572724);(97.0289544,7.077905623);(99.00821896,0.0037110412);(104.9976543,0.0022903124);(111.008219,2.69641544);(115.0031336,0.0345068012);(123.008219,15.06699638);(141.0187836,65.60064115)
Predicted LC-MS/MS	Not Available	Negative	med	View Spectrum	(17.00273965,0.3143581358);(25.00782503,0.7686403356);(29.00273965,0.6706213008);(39.0234751,1.119855186);(41.00273965,1.061694675);(41.03912516,0.004722619);(43.01838972,0.3254785207);(44.99765427,0.2227529942);(49.00782503,0.0748637415);(53.00273965,0.2661812167);(55.01838972,0.0792422339);(65.00273965,1.29708911);(67.01838972,10.44699154);(68.99765427,0.3571572767);(71.01330434,0.1111880646);(77.00273965,0.0247859237);(79.01838972,7.74276201);(80.99765427,0.0123926597);(83.01330434,1.984654593);(85.0289544,1.2520769);(87.00821896,0.0486493854);(92.99765427,1.375320997);(95.01330434,7.769686479);(96.99256889,0.0049600956);(97.0289544,11.80856712);(99.00821896,0.0104780672);(104.9976543,0.1595345941);(111.008219,10.70574032);(115.0031336,0.0118030171);(123.008219,25.66553741);(141.0187836,14.30221348)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(15.0234751,0.1206212404);(25.00782503,0.698270971);(29.00273965,4.070703425);(39.0234751,2.213616708);(41.00273965,2.397440168);(41.03912516,0.2453126337);(43.01838972,0.2501575547);(44.99765427,1.389423283);(49.00782503,0.9333017536);(53.00273965,15.65222879);(55.01838972,1.005867511);(65.00273965,9.657887597);(67.01838972,11.90821192);(68.99765427,2.253597795);(71.01330434,13.55941192);(77.00273965,0.3261942829);(79.01838972,5.434022407);(80.99765427,8.043199093);(83.01330434,0.3509479367);(85.0289544,0.1421378297);(87.00821896,1.601435311);(92.99765427,2.815479643);(95.01330434,6.305818928);(96.99256889,0.5802363093);(97.0289544,1.843519851);(99.00821896,0.2699839047);(104.9976543,0.1287908102);(111.008219,0.6884684855);(115.0031336,0.1172176715);(123.008219,4.824252742);(141.0187836,0.1722415327)
Predicted LC-MS/MS	Not Available	Positive	low	View Spectrum	(51.02293,13.5);(69.03349,37.13);(69.03349,37.13);(81.03349,41.35);(81.03349,41.35);(97.02841,56.18);(97.02841,56.18);(97.02841,56.18);(97.02841,56.18);(97.02841,56.18);(97.02841,56.18);(97.02841,56.18);(107.01276,17.71);(107.01276,17.71);(107.01276,17.71);(125.02332,100.0);(125.02332,100.0);(125.02332,100.0);(125.02332,100.0);(125.02332,100.0);(125.02332,100.0);(125.02332,100.0);(125.02332,100.0);(125.02332,100.0);(143.03389,63.11);(143.03389,63.11);(143.03389,63.11);(143.03389,63.11);(143.03389,63.11);(143.03389,63.11)
Predicted LC-MS/MS	Not Available	Positive	medium	View Spectrum	(39.02293,42.24);(41.03858,16.6);(43.01784,13.25);(51.02293,24.27);(67.01784,13.1);(69.03349,46.64);(69.03349,46.64);(81.03349,46.23);(81.03349,46.23);(95.01276,22.37);(95.01276,22.37);(95.01276,22.37);(95.01276,22.37);(97.02841,100.0);(97.02841,100.0);(97.02841,100.0);(97.02841,100.0);(97.02841,100.0);(97.02841,100.0);(97.02841,100.0);(107.01276,11.12);(107.01276,11.12);(107.01276,11.12);(125.02332,20.84);(125.02332,20.84);(125.02332,20.84);(125.02332,20.84);(125.02332,20.84);(125.02332,20.84);(125.02332,20.84);(125.02332,20.84);(125.02332,20.84)
Predicted LC-MS/MS	Not Available	Positive	high	View Spectrum	(39.02293,100.0);(41.03858,28.96);(43.01784,10.7);(51.02293,14.32);(67.01784,12.14);(69.03349,13.29);(69.03349,13.29);(79.01784,13.03);(81.03349,20.64);(81.03349,20.64);(83.01276,11.1);(83.01276,11.1);(83.01276,11.1);(95.01276,12.98);(95.01276,12.98);(95.01276,12.98);(95.01276,12.98);(97.02841,32.88);(97.02841,32.88);(97.02841,32.88);(97.02841,32.88);(97.02841,32.88);(97.02841,32.88);(97.02841,32.88)
Predicted LC-MS/MS	Not Available	Negative	low	View Spectrum	(67.01894,100.0);(67.01894,100.0);(69.03459,8.15);(69.03459,8.15);(97.0295,38.1);(97.0295,38.1);(97.0295,38.1);(97.0295,38.1);(97.0295,38.1);(97.0295,38.1);(111.00877,6.95);(111.00877,6.95);(111.00877,6.95);(141.01933,15.28);(141.01933,15.28);(141.01933,15.28);(141.01933,15.28);(141.01933,15.28);(141.01933,15.28)
Predicted LC-MS/MS	Not Available	Negative	medium	View Spectrum	(39.02402,12.89);(67.01894,100.0);(67.01894,100.0);(77.00329,51.0);(79.01894,66.75);(83.01385,18.48);(95.01385,29.48);(95.01385,29.48);(95.01385,29.48);(95.01385,29.48);(95.01385,29.48);(95.01385,29.48);(97.0295,63.49);(97.0295,63.49);(97.0295,63.49);(97.0295,63.49);(97.0295,63.49);(97.0295,63.49);(123.00877,14.76);(123.00877,14.76);(123.00877,14.76);(123.00877,14.76)
Predicted LC-MS/MS	Not Available	Negative	high	View Spectrum	(41.00329,21.42);(53.00329,16.54);(65.00329,25.45);(67.01894,100.0);(67.01894,100.0);(69.03459,15.67);(69.03459,15.67);(80.9982,26.19);(97.0295,12.32);(97.0295,12.32);(97.0295,12.32);(97.0295,12.32);(97.0295,12.32);(97.0295,12.32)

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

Back

Showing entry for 5-Hydroxymethyl-2-furoic acid