Metabolites

Metabolites We Can Detect

If you are looking for metabolomics service this page will help guide you to the right lab. The table below lists all of the metabolites that the center regularly sees and in which labs they are detected in. If your compound of interest is not on the list just contact us and we can still help you out. There are lots more compounds we can detect and many of our labs are open for method development projects if it is something new.

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Compound NamePubChem CIDPlatformLabExact MassFormula
15-HETrE (C20:3n6)25063347Lipid MediatorsNewman350.209C20H30O5
RvE1 (C20:5n3)25063347Lipid MediatorsNewman350.209C20H30O5
Osbonate (C22:5n6)6441454Lipid MediatorsNewman330.256C22H34O2
Nonadeca-10(Z)-enoate (C19:1n9)5312513Lipid MediatorsNewman296.272C19H36O2
16(17)-EpDoPE (C22:6n3)14392758Lipid MediatorsNewman344.235C22H32O3
15-HpETE (C20:4n6)5280893Lipid MediatorsNewman336.23C20H32O4
PGD2 (C20:4n6)448457Lipid MediatorsNewman352.225C20H32O5
LTB5 (C20:5n3)5283125Lipid MediatorsNewman334.214C20H30O4
Eicosenoate (C20:1n9)5282768Lipid MediatorsNewman310.287C20H38O2
12(13)-EpODE (C18:3n3)16061061Lipid MediatorsNewman294.219C18H30O3
14,15-DiHETE (C20:5n3)16061119Lipid MediatorsNewman336.23C20H32O4
OEA (C18:1n9 )5283454Lipid MediatorsNewman325.298C20H39NO2
PGE3 (C20:5n3)5280937Lipid MediatorsNewman350.209C20H30O5
12(13)-EpOME (C18:2n6)5356421Lipid MediatorsNewman296.235C18H32O3
12,13-DiHOME (C18:2n6)10236635Lipid MediatorsNewman314.246C18H34O4
8(9)-EpETrE (C20:4n6)5283203Lipid MediatorsNewman320.235C20H32O3
8,9-DiHETrE (C20:4n6)5283144Lipid MediatorsNewman338.246C20H34O4
1-AG (C20:4n6 )16019980Lipid MediatorsNewman378.277C23H38O4
α Linolenate (C18:3n3)5282822Lipid MediatorsNewman278.225C18H30O2
11(12)-EpETrE (C20:4n6)5283204Lipid MediatorsNewman320.235C20H32O3
19,20-DiHDoPE (C22:6n3)16061148Lipid MediatorsNewman362.246C22H34O4
DEA (C22:4n6 )5282273Lipid MediatorsNewman375.314C24H41NO2
5-HEPE (C20:5n3)6439678Lipid MediatorsNewman318.219C20H30O3
11-HETE (C20:4n6)5312981Lipid MediatorsNewman320.235C20H32O3
DHEA (C22:6n3 )44373477Lipid MediatorsNewman371.282C24H37NO2
5,6-DiHETrE (C20:4n6)5283142Lipid MediatorsNewman338.246C20H34O4
PGE1 (C20:3n6)5280723Lipid MediatorsNewman354.241C20H34O5
17(18)-EpETE (C20:5n3)16061089Lipid MediatorsNewman318.219C20H30O3
aLEA (C18:3n3 )5283449Lipid MediatorsNewman321.267C20H35NO2
15(16)-EpODE (C18:3n3)16061062Lipid MediatorsNewman294.219C18H30O3
13-HODE (C18:2n6)6443013Lipid MediatorsNewman296.235C18H32O3
Dihomo-γ-linolenate (C20:3n6)5280581Lipid MediatorsNewman306.256C20H34O2
NO-Gly (C18:1n9 )6436908Lipid MediatorsNewman339.277C20H37NO3
PEA (C16:0)4671Lipid MediatorsNewman299.282C18H37NO2
2-LG (C18:2n6 )5365676Lipid MediatorsNewman354.277C21H38O4
Palmitate (C16:0)985Lipid MediatorsNewman256.24C16H32O2
Lipoxin A4 (C20:4n6)5280914Lipid MediatorsNewman352.225C20H32O5
Timnodonate; EPA (C20:5n3)446284Lipid MediatorsNewman302.225C20H30O2
Bovinate (C18:2(9c,11t)-CLA)5280644Lipid MediatorsNewman280.24C18H32O2
13-HpODE (C18:2n6)5280720Lipid MediatorsNewman312.23C18H32O4
9-HpODE (C18:2n6)6439847Lipid MediatorsNewman312.23C18H32O4
13-KODE (C18:2n6)6446027Lipid MediatorsNewman294.219C18H30O3
Stearidonate (C18:4n3)5282837Lipid MediatorsNewman276.209C18H28O2
15-HETE (C20:4n6)5280724Lipid MediatorsNewman320.235C20H32O3
9(10)-EpODE (C18:3n3)16061060Lipid MediatorsNewman294.219C18H30O3
9-HETE (C20:4n6)5312978Lipid MediatorsNewman320.235C20H32O3
Heptadecanoate (C17:0)10465Lipid MediatorsNewman270.256C17H34O2
PGD2 EA (PGD2 )5283120Lipid MediatorsNewman395.267C22H37NO5
LTB4 (C20:4n6)5280888Lipid MediatorsNewman370.236C20H34O6
6-keto-PGF1a (C20:4n6)5280888Lipid MediatorsNewman370.236C20H34O6
5-HETE (C20:4n6)5280733Lipid MediatorsNewman320.235C20H32O3
13-HOTE (C18:3n3)10469728Lipid MediatorsNewman294.219C18H30O3
LEA (C18:2n6 )5283446Lipid MediatorsNewman323.282C20H37NO2
AEA (C20:4n6 )5281969Lipid MediatorsNewman347.282C22H37NO2
15,16-DiHODE (C18:3n3)16061068Lipid MediatorsNewman312.23C18H32O4
11,12-DiHETrE (C20:4n6)5283146Lipid MediatorsNewman338.246C20H34O4
9-KODE (C18:2n6)9839084Lipid MediatorsNewman294.219C18H30O3
Cervonate; DHA (C22:6n3)445580Lipid MediatorsNewman328.24C22H32O2
12-HEPE (C20:5n3)10041593Lipid MediatorsNewman318.219C20H30O3
9,12,13-TriHOME (C18:2n6)9858729Lipid MediatorsNewman330.241C18H34O5
5-KETE (C20:4n6)5283159Lipid MediatorsNewman318.219C20H30O3
8-HETE (C20:4n6)5283154Lipid MediatorsNewman320.235C20H32O3
20-HETE (C20:4n6)5283157Lipid MediatorsNewman320.235C20H32O3
8,15-DiHETE (C20:4n6)5312973Lipid MediatorsNewman336.23C20H32O4
9-HODE (C18:2n6)5282945Lipid MediatorsNewman296.235C18H32O3
9,10,13-TriHOME (C18:2n6)5282965Lipid MediatorsNewman330.241C18H34O5
RvD1 (C22:6n3)16061135Lipid MediatorsNewman376.225C22H32O5
19(20)-EpDoPE (C22:6n3)11631565Lipid MediatorsNewman344.235C22H32O3
SEA (C18:0)27902Lipid MediatorsNewman327.314C20H41NO2
LTE4 (C20:4n6)5280749Lipid MediatorsNewman439.239C23H37NO5S
Linoleate (C18:2n6)5280450Lipid MediatorsNewman280.24C18H32O2
Laurate (C12:0)3893Lipid MediatorsNewman200.178C12H24O2
PGB2 (C20:4n6)5288144Lipid MediatorsNewman334.214C20H30O4
11,12,15 TriHETrE (C20:4n6)11954043Lipid MediatorsNewman354.241C20H34O5
20-hydroxy-LTB4 (C20:4n6)5280745Lipid MediatorsNewman352.225C20H32O5
PGF2a (C20:4n6)5283078Lipid MediatorsNewman354.241C20H34O5
Stearate (C18:0)5281Lipid MediatorsNewman284.272C18H36O2
9,10-DiHODE (C18:3n3)16061066Lipid MediatorsNewman312.23C18H32O4
20-HETE EA (20-HETE )35027640Lipid MediatorsNewman363.277C22H37NO3
12(13)Ep-9-KODE (C18:2n6)5283007Lipid MediatorsNewman310.214C18H30O4
2-AG (C20:4n6 )5282280Lipid MediatorsNewman378.277C23H38O4
12,13-DiHODE (C18:3n3)16061067Lipid MediatorsNewman312.23C18H32O4
14(15)-EpETE (C20:5n3)16061088Lipid MediatorsNewman318.219C20H30O3
9-HOTE (C18:3n3)6439873Lipid MediatorsNewman294.219C18H30O3
1-OG (C18:1n9 )12178130Lipid MediatorsNewman356.293C21H40O4
Palmitoleate (C16:1n7)5282745Lipid MediatorsNewman254.225C16H30O2
Palmitelaidate (C16:1n7t)5282745Lipid MediatorsNewman254.225C16H30O2
Hepoxilin A3 (C20:4n6)5460414Lipid MediatorsNewman336.23C20H32O4
17-HDoHE (C22:6n3)6439179Lipid MediatorsNewman344.235C22H32O3
20-carboxy-LTB4 (C20:4n6)5280877Lipid MediatorsNewman366.204C20H30O6
14,15-DiHETrE (C20:4n6)5283147Lipid MediatorsNewman338.246C20H34O4
Myristate (C14:0)11005Lipid MediatorsNewman228.209C14H28O2
δ 12-PGJ2 (C20:4n6)5280885Lipid MediatorsNewman334.214C20H30O4
Adrenate (C22:4n6)5282844Lipid MediatorsNewman332.272C22H36O2
DGLA EA (C20:3n6 )5282272Lipid MediatorsNewman349.298C22H39NO2
Mead acid (C20:3n9)5312531Lipid MediatorsNewman306.256C20H34O2
2-OG (C18:1n9 )5319879Lipid MediatorsNewman356.293C21H40O4
PGJ2 (C20:4n6)5280884Lipid MediatorsNewman334.214C20H30O4
Vaccenate (C18:1n7)5281127Lipid MediatorsNewman282.256C18H34O2
5,15-DiHETE (C20:4n6)5283158Lipid MediatorsNewman336.23C20H32O4
15-deoxy PGJ2 (C20:4n6)5311211Lipid MediatorsNewman316.204C20H28O3
6-trans-LTB4 (C20:4n6)5283128Lipid MediatorsNewman336.23C20H32O4
γ-Linolenate (C18:3n6)5280933Lipid MediatorsNewman278.225C18H30O2
1-LG (C18:2n6 )6436630Lipid MediatorsNewman354.277C21H38O4
15-HEPE (C20:5n3)5353282Lipid MediatorsNewman318.219C20H30O3
14(15)-EpETrE (C20:4n6)11954058Lipid MediatorsNewman336.23C20H32O4
Pentadecanoate (C15:0)13849Lipid MediatorsNewman242.225C15H30O2
PGF2a EA (PGF2a )5283076Lipid MediatorsNewman397.283C22H39NO5
9,10-DiHOME (C18:2n6)9966640Lipid MediatorsNewman314.246C18H34O4
9(10)-EpOME (C18:2n6)9966640Lipid MediatorsNewman314.246C18H34O4
PGE2 (C20:4n6)5280360Lipid MediatorsNewman352.225C20H32O5
TXB2 (C20:4n6)5283137Lipid MediatorsNewman370.236C20H34O6
17,18-DiHETE (C20:5n3)16061120Lipid MediatorsNewman336.23C20H32O4
15-KETE (C20:4n6)5280701Lipid MediatorsNewman318.219C20H30O3
NA-Gly (20:4n6 )5283389Lipid MediatorsNewman361.262C22H35NO3
Clupanodonate; DPA (C22:5n3)5497182Lipid MediatorsNewman330.256C22H34O2
Arachidonate (C20:4n6)444899Lipid MediatorsNewman304.24C20H32O2
12-HpETE (C20:4n6)5280892Lipid MediatorsNewman336.23C20H32O4
12-HETE (C20:4n6)5312983Lipid MediatorsNewman320.235C20H32O3
Oleate (C18:1n9)445639Lipid MediatorsNewman282.256C18H34O2
PGD35282260Oxylipin profilingHammock350.209C20H30O5
Resolvin E110473088Oxylipin profilingHammock350.209C20H30O5
allopregnanolone31402Neurosteroids profilingHammock318.256C21H34O2
16(17)-EpDPE14392758Oxylipin profilingHammock344.235C22H32O3
PGD2448457Oxylipin profilingHammock352.225C20H32O5
LTB55283125Oxylipin profilingHammock334.214C20H30O4
14,15-DiHETE16061119Oxylipin profilingHammock336.23C20H32O4
PGE35280937Oxylipin profilingHammock350.209C20H30O5
12(13)-EpOME5356421Oxylipin profilingHammock296.235C18H32O3
PGD15280936Oxylipin profilingHammock354.241C20H34O5
12,13-DiHOME10236635Oxylipin profilingHammock314.246C18H34O4
3alpha,5alpha-tetrahydrodeoxycorticosterone91475Neurosteroids profilingHammock334.251C21H34O3
8(9)-EpETrE alt40490662Oxylipin profilingHammock320.235C20H32O3
8(9)-EpETrE1901Oxylipin profilingHammock320.235C20H32O3
13(14)-EpDPE11674605Oxylipin profilingHammock344.235C22H32O3
8,9-DiHETrE5283144Oxylipin profilingHammock338.246C20H34O4
11,12-DiHETE16061121Oxylipin profilingHammock336.23C20H32O4
7,8-DiHDPE16061144Oxylipin profilingHammock362.246C22H34O4
9(10)-EpOME6246154Oxylipin profilingHammock296.235C18H32O3
24R, 25-(OH)2D35283748Vitamin D profilingHammock416.329C27H44O3
19,20-DiHDPE16061148Oxylipin profilingHammock362.246C22H34O4
5-HEPE6439678Oxylipin profilingHammock318.219C20H30O3
11-HETE5312981Oxylipin profilingHammock320.235C20H32O3
5,6-DiHETrE5283142Oxylipin profilingHammock338.246C20H34O4
1α,25- (OH)2D35280453Vitamin D profilingHammock416.329C27H44O3
PGE15280723Oxylipin profilingHammock354.241C20H34O5
17(18)-EpETE131367Oxylipin profilingHammock318.219C20H30O3
12-oxo-ETE5283162Oxylipin profilingHammock318.219C20H30O3
15(16)-EpODE16061062Oxylipin profilingHammock294.219C18H30O3
13-HODE6443013Oxylipin profilingHammock296.235C18H32O3
15(S)-HETrE5283145Oxylipin profilingHammock322.251C20H34O3
LXA45280914Oxylipin profilingHammock352.225C20H32O5
14(15)-EpETrE1431Oxylipin profilingHammock320.235C20H32O3
13-oxo-ODE6446027Oxylipin profilingHammock294.219C18H30O3
15-HETE5280724Oxylipin profilingHammock320.235C20H32O3
9(10)-EpODE16061060Oxylipin profilingHammock294.219C18H30O3
25-(OH)D35283731Vitamin D profilingHammock400.334C27H44O2
Cortisol5754Neurosteroids profilingHammock362.209C21H30O5
9-HETE5312978Oxylipin profilingHammock320.235C20H32O3
6-keto-PGF1a5280888Oxylipin profilingHammock370.236C20H34O6
5-HETE5280733Oxylipin profilingHammock320.235C20H32O3
25-(OH)D25710148Vitamin D profilingHammock412.334C28H44O2
13-HOTrE16061072Oxylipin profilingHammock294.219C18H30O3
13,14-DiHDPE16061146Oxylipin profilingHammock362.246C22H34O4
15,16-DiHODE16061068Oxylipin profilingHammock312.23C18H32O4
11,12-DiHETrE5283146Oxylipin profilingHammock338.246C20H34O4
9-oxo-ODE9839084Oxylipin profilingHammock294.219C18H30O3
12-HEPE10041593Oxylipin profilingHammock318.219C20H30O3
9,12,13-TriHOME9858729Oxylipin profilingHammock330.241C18H34O5
5-oxo-ETE5283159Oxylipin profilingHammock318.219C20H30O3
8-HETE6438380Oxylipin profilingHammock320.235C20H32O3
LTB36439476Oxylipin profilingHammock338.246C20H34O4
20-HETE5283157Oxylipin profilingHammock320.235C20H32O3
8,15-DiHETE53480358Oxylipin profilingHammock336.23C20H32O4
9-HODE5282945Oxylipin profilingHammock296.235C18H32O3
9,10,13-TriHOME14968868Oxylipin profilingHammock330.241C18H34O5
8,9-DiHETE16061118Oxylipin profilingHammock336.23C20H32O4
10,11-DiHDPE16061145Oxylipin profilingHammock362.246C22H34O4
7(8)-EpDPE11653103Oxylipin profilingHammock344.235C22H32O3
Corticosterone5753Neurosteroids profilingHammock346.214C21H30O4
Pregnenolone8955Neurosteroids profilingHammock316.24C21H32O2
19(20)-EpDPE11631565Oxylipin profilingHammock344.235C22H32O3
Ganaxolone38022Neurosteroids profilingHammock332.272C22H36O2
Aldosterone5839Neurosteroids profilingHammock360.194C21H28O5
PGB25280881Oxylipin profilingHammock334.214C20H30O4
20-OH-LTB45280745Oxylipin profilingHammock352.225C20H32O5
PGF2a20849107Oxylipin profilingHammock354.241C20H34O5
11(12)-EpETE53394022Oxylipin profilingHammock318.219C20H30O3
9,10-DiHODE16061066Oxylipin profilingHammock312.23C18H32O4
EKODE53394018Oxylipin profilingHammock310.214C18H30O4
12,13-DiHODE16061067Oxylipin profilingHammock312.23C18H32O4
14(15)-EpETE53394073Oxylipin profilingHammock318.219C20H30O3
9-HOTrE6439873Oxylipin profilingHammock294.219C18H30O3
Progesterone5994Neurosteroids profilingHammock314.225C21H30O2
17-HDoHE6439179Oxylipin profilingHammock344.235C22H32O3
20-COOH-LTB45280877Oxylipin profilingHammock366.204C20H30O6
14,15-DiHETrE5283147Oxylipin profilingHammock338.246C20H34O4
PGJ25280884Oxylipin profilingHammock334.214C20H30O4
5,15-DiHETE5283158Oxylipin profilingHammock336.23C20H32O4
5(6)-EpETrE1778Oxylipin profilingHammock320.235C20H32O3
15-deoxy-PGJ25311211Oxylipin profilingHammock316.204C20H28O3
LTB45280492Oxylipin profilingHammock336.23C20H32O4
d4-LTB416061113Oxylipin profilingHammock336.23C20H32O4
6-trans-LTB45283128Oxylipin profilingHammock336.23C20H32O4
THF diol8064Oxylipin profilingHammock90.068C4H10O2
Deoxycortisol440707Neurosteroids profilingHammock346.214C21H30O4
15-HEPE5353282Oxylipin profilingHammock318.219C20H30O3
8-HEPE53394250Oxylipin profilingHammock318.219C20H30O3
9,10-DiHOME9966640Oxylipin profilingHammock314.246C18H34O4
PGE25280360Oxylipin profilingHammock352.225C20H32O5
d4-PGE25283031Oxylipin profilingHammock352.225C20H32O5
TXB25283137Oxylipin profilingHammock370.236C20H34O6
d4-TXB216061116Oxylipin profilingHammock370.236C20H34O6
17,18-DiHETE16061120Oxylipin profilingHammock336.23C20H32O4
15-oxo-ETE5280701Oxylipin profilingHammock318.219C20H30O3
8(9)-EpETE53394044Oxylipin profilingHammock318.219C20H30O3
16,17-DiHDPE16061147Oxylipin profilingHammock362.246C22H34O4
10(11)-EpDPE11638767Oxylipin profilingHammock344.235C22H32O3
1α, 25-(OH)2D26437855Vitamin D profilingHammock428.329C28H44O3
12-HETE5312983Oxylipin profilingHammock320.235C20H32O3
11,12-,15-TriHETrE11954042Oxylipin profilingHammock  
5,6-DiHETEnaOxylipin profilingHammock (chemspider 4444132)
4,5-DiHDPEnaOxylipin profilingHammock  
12(13)-EpODEnaOxylipin profilingHammock  
11(12)-EpETrEnaOxylipin profilingHammock  
d4-6-keto-PGF1anaOxylipin profilingHammock  
d11-14,15-DiHETrEnaOxylipin profilingHammock  
d6-20-HETEnaOxylipin profilingHammock  
d4-9-HODEnaOxylipin profilingHammock  
d8-12-HETEnaOxylipin profilingHammock  
d8-5-HETEnaOxylipin profilingHammock  
d11-11(12)-EpETrEnaOxylipin profilingHammock  
d4-9(10)-EpOMEnaOxylipin profilingHammock  
d8-AAnaOxylipin profilingHammock  
Androstenedione6432604Steroid profilingGaikwad286.193C19H26O2
4-hydroxy-estradiol-2-glutationeNASteroid profilingGaikwad  
4-methoxy-estradiol68578Steroid profilingGaikwad302.188C19H26O3
2-hydroxy-estrone-1-N-acetylcysteineNASteroid profilingGaikwad  
2-methoxy-estradiol66414Steroid profilingGaikwad302.188C19H26O3
2-hydroxy-estrone-1-glutationeNASteroid profilingGaikwad  
2-hydroxy-estradiol16219475Steroid profilingGaikwad288.173C18H24O3
Estrone6710658Steroid profilingGaikwad270.162C18H22O2
4-hydroxy-estradiol-1-N-7-guanineNASteroid profilingGaikwad  
2-hydroxy-estrone-6-N-3-adenineNASteroid profilingGaikwad  
2-hydroxy-estradiol-4-N-acetylcysteineNASteroid profilingGaikwad  
Estrone-Sulfate10861069Steroid profilingGaikwad350.119C18H22O5S
4-hydroxy-estradiol-2-N-acetylcysteineNASteroid profilingGaikwad  
4-hydroxy-estrone-2-cysteineNASteroid profilingGaikwad  
4-hydroxy-estrone-1-N-7-guanine9889189Steroid profilingGaikwad435.191C23H25N5O4
4-hydroxy-estrone-1-N-3-adenineNASteroid profilingGaikwad  
4-hydroxy-estradiol-1-N-3-adenineNASteroid profilingGaikwad  
2-OH-3-methoxy-estradiolNASteroid profilingGaikwad  
Testosterone19615208Steroid profilingGaikwad288.209C19H28O2
16α-hydroxy-estradiol16757678Steroid profilingGaikwad288.173C18H24O3
4-methoxy-estrone168393Steroid profilingGaikwad357.194C8H8.C7H12O2.C3H3N.C3H4O2
4-hydroxy-estradiol49823447Steroid profilingGaikwad288.173C18H24O3
2-hydroxy-estradiol-1-glutatione10257895Steroid profilingGaikwad593.241C28H39N3O9S
2-hydroxy-estradiol-6-N-3-adenineNASteroid profilingGaikwad  
2-hydroxy-estrone54328033Steroid profilingGaikwad286.157C18H22O3
4-hydroxy-estradiol-2-cysteineNASteroid profilingGaikwad  
4-hydroxy-estrone-2-glutationeNASteroid profilingGaikwad  
2-hydroxy-estradiol-1+4-cysteineNASteroid profilingGaikwad  
2-hydroxy-estrone-1-cysteineNASteroid profilingGaikwad  
2-hydroxy-estradiol-4-glutatione10393673Steroid profilingGaikwad593.241C28H39N3O9S
Estradiol43912931Steroid profilingGaikwad272.178C18H24O2
2-methoxy-estrone9686Steroid profilingGaikwad300.173C19H24O3
4-hydroxy-estrone-2-N-acetylcysteineNASteroid profilingGaikwad  
16α-hydroxy-estrone115116Steroid profilingGaikwad286.157C18H22O3
2-hydroxy-estrone-4-cysteineNASteroid profilingGaikwad  
4-hydroxy-estrone9971251Steroid profilingGaikwad286.157C18H22O3
2-OH-3-methoxy-estrone13831793Steroid profilingGaikwad300.173C19H24O3
2-hydroxy-estrone-4-N-acetylcysteineNASteroid profilingGaikwad  
2-hydroxy-estradiol-1-N-acetylcysteineNASteroid profilingGaikwad  
2-hydroxy-estrone-4-glutationeNASteroid profilingGaikwad  
quinic acid6508Primary MetabolitesFiehn192.063C7H12O6
benzyl thiocyanate18170Primary MetabolitesFiehn149.03C8H7NS
5-Dihydrocortisol164838Primary MetabolitesFiehn364.225C21H32O5
α-D-glucosamine phosphate121988Primary MetabolitesFiehn259.046C6H14NO8P
4-androsten-3,17-dione6128Primary MetabolitesFiehn286.193C19H26O2
glycolic acid757Primary MetabolitesFiehn76.016C2H4O3
phytosphingosine122121Primary MetabolitesFiehn317.293C18H39NO3
N-methylaniline7515Primary MetabolitesFiehn107.073C7H9N
2-hydroxybutyric acid11266Primary MetabolitesFiehn104.047C4H8O3
2-hydroxybutanoic acid440864Primary MetabolitesFiehn104.047C4H8O3
acenaphthenequinone6724Primary MetabolitesFiehn182.037C12H6O2
(R)-(+)-1,2-dithiolane-3-pentanoic acid (lipoic acid)6112Primary MetabolitesFiehn206.044C8H14O2S2
L-Isoleucine6306Primary MetabolitesFiehn131.095C6H13NO2
3-aminopropionitrile1647Primary MetabolitesFiehn70.053C3H6N2
L-ornithine6262Primary MetabolitesFiehn132.09C5H12N2O2
hesperetin3593Primary MetabolitesFiehn302.079C16H14O6
3-hydroxypropanoic acid68152Primary MetabolitesFiehn90.032C3H6O3
4-aminobenzoic acid (p-Aminobenzoic acid)978Primary MetabolitesFiehn137.048C7H7NO2
loganin16212335Primary MetabolitesFiehn390.153C17H26O10
2-METHYLGLUTARIC ACID12046Primary MetabolitesFiehn146.058C6H10O4
neohesperidin442439Primary MetabolitesFiehn610.19C28H34O15
Tricetin5281701Primary MetabolitesFiehn302.043C15H10O7
2-Deoxyerythritol18302Primary MetabolitesFiehn106.063C4H10O3
phosphoglycolic acid529Primary MetabolitesFiehn155.982C2H5O6P
Acylcarnitine C18:153477789Complex lipidsFiehn425.351C25H47NO4
LysoPC(16:0)460602Complex lipidsFiehn495.332C24H50NO7P
beta-Hydroxymyristic acid16064Primary MetabolitesFiehn244.204C14H28O3
3beta-Hydroxy-5beta-pregnane-20-one228491Primary MetabolitesFiehn318.256C21H34O2
5β-PREGNAN-3β-OL-20-ONE31402Primary MetabolitesFiehn318.256C21H34O2
hydroxylamine787Primary MetabolitesFiehn33.021H3NO
D-(glycerol 1-phosphate)439162Primary MetabolitesFiehn172.014C3H9O6P
glycerol 1-phosphate754Primary MetabolitesFiehn172.014C3H9O6P
L-alpha-Glycerophophate439276Primary MetabolitesFiehn172.014C3H9O6P
L-threonine6288Primary MetabolitesFiehn119.058C4H9NO3
L-allothreonine99289Primary MetabolitesFiehn119.058C4H9NO3
threonine205Primary MetabolitesFiehn119.058C4H9NO3
4-hydroxybenzyl cyanide26548Primary MetabolitesFiehn133.053C8H7NO
Gentiobiose92807Primary MetabolitesFiehn342.116C12H22O11
p-benzoquinone4650Primary MetabolitesFiehn108.021C6H4O2
β-glutamic acid73064Primary MetabolitesFiehn147.053C5H9NO4
2-Monopalmitin123409Primary MetabolitesFiehn330.277C19H38O4
3-methyloxyindole (3-Methyl-2-oxindole)150923Primary MetabolitesFiehn147.068C9H9NO
azelaic acid2266Primary MetabolitesFiehn188.105C9H16O4
5-methoxypsoralen2355Primary MetabolitesFiehn216.042C12H8O4
phenylethylamine1001Primary MetabolitesFiehn121.089C8H11N
cholic acid221493Primary MetabolitesFiehn408.288C24H40O5
5-Hydroxyindole-2-carboxylic acid88958Primary MetabolitesFiehn177.043C9H7NO3
6-phosphogluconic acid91493Primary MetabolitesFiehn276.025C6H13O10P
triacontanoic acid methyl ester12400Primary MetabolitesFiehn466.475C31H62O2
cis-11-Eicosenoic acid5282768Primary MetabolitesFiehn310.287C20H38O2
3-hydroxy-L-proline440575Primary MetabolitesFiehn131.058C5H9NO3
L-Malic acid222656Primary MetabolitesFiehn134.022C4H6O5
D-malic acid92824Primary MetabolitesFiehn134.022C4H6O5
sorbose6904Primary MetabolitesFiehn180.063C6H12O6
D-tagatose92092Primary MetabolitesFiehn180.063C6H12O6
L- sorbose (D-Psicose)1101Primary MetabolitesFiehn180.063C6H12O6
fructose5984Primary MetabolitesFiehn180.063C6H12O6
dioctyl phthalate8343Primary MetabolitesFiehn390.277C24H38O4
arbutin440936Primary MetabolitesFiehn272.09C12H16O7
2-ketoisocaproic acid (alpha-ketoisocaproate)70Primary MetabolitesFiehn130.063C6H10O3
4-methyl-5-thiazoleethanol1136Primary MetabolitesFiehn143.04C6H9NOS
6-hydroxynicotinic acid72924Primary MetabolitesFiehn139.027C6H5NO3
phytol (cis-Phytol)6430833Primary MetabolitesFiehn296.308C20H40O
isopropyl β-D-1-thiogalactopyranoside656894Primary MetabolitesFiehn238.087C9H18O5S
glycocyamine (Guanidoacetic acid)763Primary MetabolitesFiehn117.054C3H7N3O2
aspirin (O-acetylsalicylic acid)2244Primary MetabolitesFiehn180.042C9H8O4
4-aminobutyric acid (L-A-Amino-N-butyric acid)119Primary MetabolitesFiehn103.063C4H9NO2
4-nitrophenol980Primary MetabolitesFiehn139.027C6H5NO3
1-HYDROXYANTHRAQUINONE8512Primary MetabolitesFiehn224.047C14H8O3
phenylpyruvate997Primary MetabolitesFiehn164.047C9H8O3
TES446188Primary MetabolitesFiehn290.225C19H30O2
3-Cyanoalanine13538Primary MetabolitesFiehn114.043C4H6N2O2
β-cyano-L-alanine439742Primary MetabolitesFiehn114.043C4H6N2O2
1-Hexadecanol2682Primary MetabolitesFiehn242.261C16H34O
N,N-dimethyl-1,4-phenylenediamine7472Primary MetabolitesFiehn136.1C8H12N2
O-phospho-L-serine (O-Phosphoserine)68841Primary MetabolitesFiehn185.009C3H8NO6P
METHYL PHOSPHATE13130Primary MetabolitesFiehn111.993CH5O4P
lanosterol246983Primary MetabolitesFiehn426.386C30H50O
Androstanediol32801Primary MetabolitesFiehn292.24C19H32O2
N-acetyl-L-phenylalanine74839Primary MetabolitesFiehn207.09C11H13NO3
3-Hydroxypalmitic acid301590Primary MetabolitesFiehn272.235C16H32O3
methyl cinnamate637520Primary MetabolitesFiehn162.068C10H10O2
allo-inositol (myo-inositol)(muco-Inositol)892Primary MetabolitesFiehn180.063C6H12O6
2-aminophenol5801Primary MetabolitesFiehn109.053C6H7NO
trans-3,5-dimethoxy-4-hydroxycinnamaldehyde5280802Primary MetabolitesFiehn208.074C11H12O4
piceatannol667639Primary MetabolitesFiehn244.074C14H12O4
3,4-dihydroxyphenylacetic acid547Primary MetabolitesFiehn168.042C8H8O4
DL-4-hydroxy-3-methoxymandelic acid (Vanillylmandelic acid)1245Primary MetabolitesFiehn198.053C9H10O5
Zymosterol92746Primary MetabolitesFiehn384.339C27H44O
3-(2-hydroxyphenyl)propanoic acid873Primary MetabolitesFiehn166.063C9H10O3
N-benzyloxycarbonylglycine (Carbobenzyloxyglycine)14349Primary MetabolitesFiehn209.069C10H11NO4
hexachlorobenzene8370Primary MetabolitesFiehn281.813C6Cl6
aspartic acid5960Primary MetabolitesFiehn133.038C4H7NO4
D-Aspartic acid424Primary MetabolitesFiehn133.038C4H7NO4
4-isopropylbenzoic acid (CUMIC ACID)10820Primary MetabolitesFiehn164.084C10H12O2
2,5-dihydroxybenzaldehyde70949Primary MetabolitesFiehn138.032C7H6O3
phenylphosphoric acid12793Primary MetabolitesFiehn174.008C6H7O4P
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)52924862Complex lipidsFiehn763.515C43H74NO8P
5-methoxy-3-indoleacetic acid18986Primary MetabolitesFiehn205.074C11H11NO3
phenylalanine994Primary MetabolitesFiehn165.079C9H11NO2
phlorobenzophenone (2,4,6-Trihydroxybenzophenone)77093Primary MetabolitesFiehn230.058C13H10O4
PC(P-16:0/18:1(9Z))24779384Complex lipidsFiehn743.583C42H82NO7P
farnesol1549107Primary MetabolitesFiehn222.198C15H26O
trans-trans-farnesol445070Primary MetabolitesFiehn222.198C15H26O
D-(+)-Ribonic acid gamma-lactone111064Primary MetabolitesFiehn148.037C5H8O5
Creatine586Complex lipidsFiehn131.069C4H9N3O2
chlorogenic acid6537496Primary MetabolitesFiehn354.095C16H18O9
taxifolin439533Primary MetabolitesFiehn304.058C15H12O7
(+/-)-Taxifolin471Primary MetabolitesFiehn304.058C15H12O7
N-methyltryptophan914Primary MetabolitesFiehn218.106C12H14N2O2
N-2-fluorenylacetamide5897Primary MetabolitesFiehn223.1C15H13NO
sucrose5988Primary MetabolitesFiehn342.116C12H22O11
hexadecane11006Primary MetabolitesFiehn226.266C16H34
L-asparagine236Primary MetabolitesFiehn132.053C4H8N2O3
1,4-Cyclohexanedione12511Primary MetabolitesFiehn112.052C6H8O2
creatinine588Primary MetabolitesFiehn113.059C4H7N3O
beta-Mannosylglycerate5460194Primary MetabolitesFiehn268.079C9H16O9
Ala-Ala5484352Primary MetabolitesFiehn160.085C6H12N2O3
D-Ala-D-Ala601Primary MetabolitesFiehn160.085C6H12N2O3
nicotinamide (Nicotinacid-amide)936Primary MetabolitesFiehn122.048C6H6N2O
Acylcarnitine C18:353477821Complex lipidsFiehn421.319C25H43NO4
β-glycerolphosphate (beta-Glycerophosphoric acid)2526Primary MetabolitesFiehn172.014C3H9O6P
glycine-d5 deuterated2723970Primary MetabolitesFiehn75.032C2H5NO2
glycine750Primary MetabolitesFiehn75.032C2H5NO2
mono(2-ethylhexyl)phthalate20393Primary MetabolitesFiehn278.152C16H22O4
4-hydroxy-3-methoxycinnamaldehyde5280536Primary MetabolitesFiehn178.063C10H10O3
2-Butyne-1,4-diol8066Primary MetabolitesFiehn86.037C4H6O2
prunin92794Primary MetabolitesFiehn434.121C21H22O10
melibiose440658Primary MetabolitesFiehn342.116C12H22O11
isomaltose439193Primary MetabolitesFiehn342.116C12H22O11
Melibiose11458Primary MetabolitesFiehn342.116C12H22O11
3-indoleacetonitrile351795Primary MetabolitesFiehn156.069C10H8N2
ergosterol444679Primary MetabolitesFiehn396.339C28H44O
estrone5870Primary MetabolitesFiehn270.162C18H22O2
PC(20:4(5Z,8Z,11Z,14Z)/18:0)52923291Complex lipidsFiehn809.593C46H84NO8P
PE(18:2(9Z,12Z)/18:1(9Z))52924364Complex lipidsFiehn741.531C41H76NO8P
melatonin896Primary MetabolitesFiehn232.121C13H16N2O2
uridine6029Primary MetabolitesFiehn244.07C9H12N2O6
D-saccharic acid33037Primary MetabolitesFiehn210.038C6H10O8
N-epsilon-Acetyl-L-lysine92832Primary MetabolitesFiehn188.116C8H16N2O3
linolenic acid5280934Primary MetabolitesFiehn278.225C18H30O2
phenylacetaldehyde998Primary MetabolitesFiehn120.058C8H8O
PE(20:4(5Z,8Z,11Z,14Z)/16:0)52924875Complex lipidsFiehn739.515C41H74NO8P
5-hydroxyindole-3-acetic acid1826Primary MetabolitesFiehn191.058C10H9NO3
5-Aminoimidazole-4-carboxamide9679Primary MetabolitesFiehn126.054C4H6N4O
PE(18:1(9Z)/16:0)9546802Complex lipidsFiehn717.531C39H76NO8P
Leucrose165577Primary MetabolitesFiehn342.116C12H22O11
4,2',4'-trihydroxychalcone638278Primary MetabolitesFiehn256.074C15H12O4
cycloserine401Primary MetabolitesFiehn102.043C3H6N2O2
2-Carboxybenzaldehyde8406Primary MetabolitesFiehn150.032C8H6O3
2-Deoxytetronic acid150929Primary MetabolitesFiehn120.042C4H8O4
tyramine5610Primary MetabolitesFiehn137.084C8H11NO
9-phenanthrenol10229Primary MetabolitesFiehn194.073C14H10O
N-acetyl-D-tryptophan439917Primary MetabolitesFiehn246.1C13H14N2O3
benzoylformic acid11915Primary MetabolitesFiehn150.032C8H6O3
D-sorbitol5780Primary MetabolitesFiehn182.079C6H14O6
D-mannitol6251Primary MetabolitesFiehn182.079C6H14O6
Pelargonic acid8158Primary MetabolitesFiehn158.131C9H18O2
lipoamide (Thioctamide)863Primary MetabolitesFiehn205.06C8H15NOS2
hypoxanthine790Primary MetabolitesFiehn136.039C5H4N4O
tartaric acid444305Primary MetabolitesFiehn150.016C4H6O6
D,L-Tartaric acid875Primary MetabolitesFiehn150.016C4H6O6
L-methionine6137Primary MetabolitesFiehn149.051C5H11NO2S
methionine876Primary MetabolitesFiehn149.051C5H11NO2S
2-ketoadipate71Primary MetabolitesFiehn160.037C6H8O5
PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))42607458Complex lipidsFiehn775.552C45H78NO7P
4-hydroxybenzoic acid135Primary MetabolitesFiehn138.032C7H6O3
PE(20:4(5Z,8Z,11Z,14Z)/18:0)52924644Complex lipidsFiehn767.547C43H78NO8P
hexadecanoic acid methyl ester (methyl hexadecanoate)8181Primary MetabolitesFiehn270.256C17H34O2
Dehydroepiandrosterone76Primary MetabolitesFiehn288.209C19H28O2
trans-dehydroandrosterone5881Primary MetabolitesFiehn288.209C19H28O2
Acylcarnitine C18:052922056Complex lipidsFiehn427.366C25H49NO4
ribulose-5-phosphate439184Primary MetabolitesFiehn230.019C5H11O8P
L-canavanine275Primary MetabolitesFiehn176.091C5H12N4O3
Maleamate11187Primary MetabolitesFiehn115.027C4H5NO3
maleamic acid5280451Primary MetabolitesFiehn115.027C4H5NO3
sarcosine1088Primary MetabolitesFiehn89.048C3H7NO2
naringenin439246Primary MetabolitesFiehn272.068C15H12O5
4-vinylphenol62453Primary MetabolitesFiehn120.058C8H8O
Acylcarnitine C12:0168381Complex lipidsFiehn343.272C19H37NO4
liquiritigenin (4',7-dihyroxyflavanone)1889Primary MetabolitesFiehn256.074C15H12O4
3-hydroxyphenylacetic acid12122Primary MetabolitesFiehn152.047C8H8O3
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))52924844Complex lipidsFiehn789.531C45H76NO8P
O-methylthreonine222906Primary MetabolitesFiehn133.074C5H11NO3
maltotriose192826Primary MetabolitesFiehn504.169C18H32O16
acetanilide904Primary MetabolitesFiehn135.068C8H9NO
S-carboxymethylcysteine193653Primary MetabolitesFiehn179.025C5H9NO4S
4-hydroxypyridine12290Primary MetabolitesFiehn95.037C5H5NO
N-Methyl-DL-alanine4377Primary MetabolitesFiehn103.063C4H9NO2
Methyl jasmonate (methyljasmonate)62388Primary MetabolitesFiehn224.141C13H20O3
adenine190Primary MetabolitesFiehn135.054C5H5N5
1-Methyladenosine16219662Primary MetabolitesFiehn281.112C11H15N5O4
benzene-1,2,4-triol10787Primary MetabolitesFiehn126.032C6H6O3
2,3-DIHYDROXYPYRIDINE28115Primary MetabolitesFiehn111.032C5H5NO2
resorcinol5054Primary MetabolitesFiehn110.037C6H6O2
pantothenic acid6613Primary MetabolitesFiehn219.111C9H17NO5
capric acid2969Primary MetabolitesFiehn172.146C10H20O2
quinolinic acid (Pyridine-2,3-dicarboxylic acid)1066Primary MetabolitesFiehn167.022C7H5NO4
Octadecanol8221Primary MetabolitesFiehn270.292C18H38O
2,3-dihydroxybenzoic acid19Primary MetabolitesFiehn154.027C7H6O4
isoxanthopterin10729Primary MetabolitesFiehn179.044C6H5N5O2
geraniol637566Primary MetabolitesFiehn154.136C10H18O
2,6-Diaminopimelic acid865Primary MetabolitesFiehn190.095C7H14N2O4
O-succinylhomoserine439406Primary MetabolitesFiehn219.074C8H13NO6
1,2-Didecanoylglycerol1321Primary MetabolitesFiehn400.319C23H44O5
2,2-DIMETHYLSUCCINIC ACID11701Primary MetabolitesFiehn146.058C6H10O4
Diglycerol42953Primary MetabolitesFiehn166.084C6H14O5
PC(16:1(9Z)/16:1(9Z))24778764Complex lipidsFiehn729.531C40H76NO8P
3-HYDROXYPYRIDINE7971Primary MetabolitesFiehn95.037C5H5NO
inosine 5'-monophosphate8582Primary MetabolitesFiehn348.047C10H13N4O8P
D-Fructose 6-phosphate69507Primary MetabolitesFiehn260.03C6H13O9P
benzylsuccinic acid (DL-Benzylsuccinic acid)3858Primary MetabolitesFiehn208.074C11H12O4
trans-aconitic acid444212Primary MetabolitesFiehn174.016C6H6O6
cellobiose10712Primary MetabolitesFiehn342.116C12H22O11
maltose6255Primary MetabolitesFiehn342.116C12H22O11
lactose84571Primary MetabolitesFiehn342.116C12H22O11
alpha tocopherol14985Primary MetabolitesFiehn430.381C29H50O2
adipamide12364Primary MetabolitesFiehn144.09C6H12N2O2
thymidine 5'-monophosphate9700Primary MetabolitesFiehn322.057C10H15N2O8P
D (+)altrose94780Primary MetabolitesFiehn180.063C6H12O6
D-allose (allose)102288Primary MetabolitesFiehn180.063C6H12O6
D-(+)-Glucose107526Primary MetabolitesFiehn180.063C6H12O6
aldohexose (generic)24749Primary MetabolitesFiehn180.063C6H12O6
N-ethylmaleamic acid5369191Primary MetabolitesFiehn143.058C6H9NO3
cyclohexylsulfamic acid7533Primary MetabolitesFiehn179.062C6H13NO3S
cis-4-hydroxycyclohexanecarboxylic acid151138Primary MetabolitesFiehn144.079C7H12O3
stigmasterol5280794Primary MetabolitesFiehn412.371C29H48O
4-hydroxyquinoline-2-carboxylic acid (kynurenic acid)3845Primary MetabolitesFiehn189.043C10H7NO3
D-(+) trehalose (α,α-Trehalose)7427Primary MetabolitesFiehn342.116C12H22O11
xylitol6912Primary MetabolitesFiehn152.068C5H12O5
D-arabitol94154Primary MetabolitesFiehn152.068C5H12O5
ribitol (Adonitol)827Primary MetabolitesFiehn152.068C5H12O5
beta-hydroxypyruvate (3-hydroxypyruvate)964Primary MetabolitesFiehn104.011C3H4O4
1,3-Cyclohexanedione10434Primary MetabolitesFiehn112.052C6H8O2
formononetin5280378Primary MetabolitesFiehn268.074C16H12O4
carbamoyl-aspartate279Primary MetabolitesFiehn176.043C5H8N2O5
L-histidine6274Primary MetabolitesFiehn155.069C6H9N3O2
citraconic acid643798Primary MetabolitesFiehn130.027C5H6O4
2-methylfumarate (mesaconate)638129Primary MetabolitesFiehn130.027C5H6O4
4-hydroxymandelonitrile166768Primary MetabolitesFiehn149.048C8H7NO2
3,5-dihydroxyphenylglycine (1α-2S-Dihydroxy Phenylglycine)443586Primary MetabolitesFiehn183.053C8H9NO4
Acylcarnitine C24:1n/aComplex lipidsFiehn  
4-methylumbelliferone5280567Primary MetabolitesFiehn176.047C10H8O3
Sedoheptulose5459879Primary MetabolitesFiehn210.074C7H14O7
methyl heptadecanoate15609Primary MetabolitesFiehn284.272C18H36O2
3-hydroxyflavone11349Primary MetabolitesFiehn238.063C15H10O3
5-Cholesten-3-beta-ol = Cholesterol5997Primary MetabolitesFiehn386.355C27H46O
cholestrol d616213400Primary MetabolitesFiehn386.355C27H46O
cholesterol304Primary MetabolitesFiehn386.355C27H46O
4-pyridoxic acid6723Primary MetabolitesFiehn183.053C8H9NO4
Pipecolinic acid849Primary MetabolitesFiehn129.079C6H11NO2
pipecolic acid439227Primary MetabolitesFiehn129.079C6H11NO2
albendazole2082Primary MetabolitesFiehn265.088C12H15N3O2S
α-D-Glucose 1-phosphate439165Primary MetabolitesFiehn260.03C6H13O9P
Glucose-1-phosphate65533Primary MetabolitesFiehn260.03C6H13O9P
Ethanolamine700Primary MetabolitesFiehn61.053C2H7NO
D-galacturonic acid84740Primary MetabolitesFiehn194.043C6H10O7
3-hydroxybenzaldehyde101Primary MetabolitesFiehn122.037C7H6O2
cytidine-5'-monophosphate6131Primary MetabolitesFiehn323.052C9H14N3O8P
homogentisic acid780Primary MetabolitesFiehn168.042C8H8O4
Digalacturonic acid439694Primary MetabolitesFiehn370.075C12H18O13
LysoPC(18:0)497299Complex lipidsFiehn523.364C26H54NO7P
3-hydroxybenzoic acid7420Primary MetabolitesFiehn138.032C7H6O3
nonanoic acid methyl ester (Methyl pelargonate)15606Primary MetabolitesFiehn172.146C10H20O2
3-isochromanone78092Primary MetabolitesFiehn148.052C9H8O2
N,N-dimethyl-L-histidine (N(alpha),N(alpha)-dimethyl-L-histidine)440274Primary MetabolitesFiehn183.101C8H13N3O2
PC(P-16:0/20:4(5Z,8Z,11Z,14Z))24779388Complex lipidsFiehn765.567C44H80NO7P
palmitic acid985Primary MetabolitesFiehn256.24C16H32O2
PC(16:1(9Z)/16:0)52922440Complex lipidsFiehn731.547C40H78NO8P
thymidine5789Primary MetabolitesFiehn242.09C10H14N2O5
uracil1174Primary MetabolitesFiehn112.027C4H4N2O2
benzoin8400Primary MetabolitesFiehn212.084C14H12O2
(-)-Adenosine 3',5'-cyclic monophosphate6076Primary MetabolitesFiehn329.053C10H12N5O6P
p-cresol2879Primary MetabolitesFiehn108.058C7H8O
6-hydroxy caproic acid14490Primary MetabolitesFiehn132.079C6H12O3
2-hydroxy-2-phenylacetic acid (Mandelic acid)1292Primary MetabolitesFiehn152.047C8H8O3
mandelic acid439616Primary MetabolitesFiehn152.047C8H8O3
methyl palmitoleate643801Primary MetabolitesFiehn268.24C17H32O2
tropic acid643328Primary MetabolitesFiehn166.063C9H10O3
ε-caprolactam7768Primary MetabolitesFiehn113.084C6H11NO
lactulose11333Primary MetabolitesFiehn342.116C12H22O11
methyl yellow6053Primary MetabolitesFiehn225.127C14H15N3
GLUTARIC ACID (Glutarate)743Primary MetabolitesFiehn132.042C5H8O4
methyl octanoate (octanoic acid methyl ester)8091Primary MetabolitesFiehn158.131C9H18O2
Aminomalonic acid100714Primary MetabolitesFiehn119.022C3H5NO4
3-METHYLBENZYL ALCOHOL11476Primary MetabolitesFiehn122.073C8H10O
5-aminovaleric acid138Primary MetabolitesFiehn117.079C5H11NO2
coniferyl alcohol1549095Primary MetabolitesFiehn180.079C10H12O3
p-toluenesulfonic acid6101Primary MetabolitesFiehn172.019C7H8O3S
Threonic acid151152Primary MetabolitesFiehn136.037C4H8O5
2-Hydroxyvaleric acid98009Primary MetabolitesFiehn118.063C5H10O3
N-acetyl-ornithine439232Primary MetabolitesFiehn174.1C7H14N2O3
3-ureidopropionate111Primary MetabolitesFiehn132.053C4H8N2O3
5-METHOXYTRYPTAMINE (methoxytryptamine)1833Primary MetabolitesFiehn190.111C11H14N2O
DL-p-hydroxyphenyllactic acid9378Primary MetabolitesFiehn182.058C9H10O4
L-(+) lactic acid107689Primary MetabolitesFiehn90.032C3H6O3
lactic acid612Primary MetabolitesFiehn90.032C3H6O3
Digitoxose258531Primary MetabolitesFiehn148.074C6H12O4
kyotorphin123804Primary MetabolitesFiehn337.175C15H23N5O4
shikimic acid8742Primary MetabolitesFiehn174.053C7H10O5
hydrocortisone5754Primary MetabolitesFiehn362.209C21H30O5
lactobionic acid16219560Primary MetabolitesFiehn358.111C12H22O12
Mevalonic acid lactone10428Primary MetabolitesFiehn130.063C6H10O3
N-gamma-acetyl-N-2-formyl-5-methoxykynurenamine (N-Acetyl-N-formyl-5-methoxykynurenamine)171161Primary MetabolitesFiehn264.111C13H16N2O4
N-(2-hydroxyethyl)iminodiacetic acid7152Primary MetabolitesFiehn177.064C6H11NO5
Ethyl cinnamate7649Primary MetabolitesFiehn176.084C11H12O2
2-Ketovaleric acid74563Primary MetabolitesFiehn116.047C5H8O3
L-lysine5962Primary MetabolitesFiehn146.106C6H14N2O2
succinic acid1110Primary MetabolitesFiehn118.027C4H6O4
heptadecanoic acid10465Primary MetabolitesFiehn270.256C17H34O2
oxaloacetic acid970Primary MetabolitesFiehn132.006C4H4O5
2′-deoxyadenosine 5′-monophosphate621Primary MetabolitesFiehn331.068C10H14N5O6P
putrescine (1,4-Diaminobutane)1045Primary MetabolitesFiehn88.1C4H12N2
PC(16:0/16:0)452110Complex lipidsFiehn733.562C40H80NO8P
4-hydroxyphenylpyruvic acid979Primary MetabolitesFiehn180.042C9H8O4
terephthalic acid7489Primary MetabolitesFiehn166.027C8H6O4
3-hydroxycinnamic acid (m-coumaric acid)637541Primary MetabolitesFiehn164.047C9H8O3
3-Methylthiopropylamine (3-(Methylthio)-propylamine)77743Primary MetabolitesFiehn105.061C4H11NS
2,3-Dimethylsuccinic acid11848Primary MetabolitesFiehn146.058C6H10O4
4-Methylbenzyl alcohol11505Primary MetabolitesFiehn122.073C8H10O
alpha-ketoglutaric acid (2-Ketoglutaric acid)51Primary MetabolitesFiehn146.022C5H6O5
prunetin (4',5-dihydroxy-7-methoxyisoflavone)5281804Primary MetabolitesFiehn284.068C16H12O5
Nicotianamine9882882Primary MetabolitesFiehn303.143C12H21N3O6
citric acid311Primary MetabolitesFiehn192.027C6H8O7
ferulic acid445858Primary MetabolitesFiehn194.058C10H10O4
Betaine247Complex lipidsFiehn117.079C5H11NO2
glucoheptonic acid25588Primary MetabolitesFiehn226.069C7H14O8
ACETOPHENONE7410Primary MetabolitesFiehn120.058C8H8O
benzamide2331Primary MetabolitesFiehn121.053C7H7NO
SM(d18:1/14:0)11433862Complex lipidsFiehn674.536C37H75N2O6P
β-Sitosterol222284Primary MetabolitesFiehn414.386C29H50O
gly-pro (N-Glycyl-L-Proline)79101Primary MetabolitesFiehn172.085C7H12N2O3
L-valine6287Primary MetabolitesFiehn117.079C5H11NO2
valine1182Primary MetabolitesFiehn117.079C5H11NO2
trehalose-6-phosphate122336Primary MetabolitesFiehn422.083C12H23O14P
DL-2-amino-3-phosphonopropionic acid177120Primary MetabolitesFiehn169.014C3H8NO5P
N-carbamyl-L-glutamic acid3679006Primary MetabolitesFiehn190.059C6H10N2O5
pyruvic acid1060Primary MetabolitesFiehn88.016C3H4O3
5-hydroxytryptophan144Primary MetabolitesFiehn220.085C11H12N2O3
5-hydroxy-L-tryptophan439280Primary MetabolitesFiehn220.085C11H12N2O3
uric acid1175Primary MetabolitesFiehn168.028C5H4N4O3
L-cystine67678Primary MetabolitesFiehn240.024C6H12N2O4S2
LysoPC(16:1(9Z))24779461Complex lipidsFiehn493.317C24H48NO7P
4-androsten-7-alpha-ol-3,17-dione (7-Hydroxy-4-androstene-3,17-dione)65542Primary MetabolitesFiehn302.188C19H26O3
anandamide5281969Primary MetabolitesFiehn347.282C22H37NO2
3-Hydroxynorvaline (DL-ß-Hydroxynorvaline)65097Primary MetabolitesFiehn133.074C5H11NO3
guaiacol460Primary MetabolitesFiehn124.052C7H8O2
2-Hydroxyquinoline6038Primary MetabolitesFiehn145.053C9H7NO
L-4-Hydroxyphenylglycine36143Primary MetabolitesFiehn167.058C8H9NO3
N-Acetyl-beta-alanine76406Primary MetabolitesFiehn131.058C5H9NO3
5,6 - dimethylbenzimidazole675Primary MetabolitesFiehn146.084C9H10N2
PE(P-16:0/18:2(9Z,12Z))52925127Complex lipidsFiehn699.52C39H74NO7P
2-Hydroxybiphenyl7017Primary MetabolitesFiehn170.073C12H10O
adenosine-3'-monophosphate (3'-adenylic acid)41211Primary MetabolitesFiehn347.063C10H14N5O7P
gallic acid370Primary MetabolitesFiehn170.022C7H6O5
urocanic acid1178Primary MetabolitesFiehn138.043C6H6N2O2
15-Keto-prostaglandin F2alpha5280887Primary MetabolitesFiehn352.225C20H32O5
acetylisatin (N-Acetylisatin)11321Primary MetabolitesFiehn189.043C10H7NO3
Dodecanol8193Primary MetabolitesFiehn186.198C12H26O
xanthine1188Primary MetabolitesFiehn152.033C5H4N4O2
L-norleucine21236Primary MetabolitesFiehn131.095C6H13NO2
2-phenylacetamide7680Primary MetabolitesFiehn135.068C8H9NO
6-methylprevitamin D5283772Primary MetabolitesFiehn398.355C28H46O
resveratrol445154Primary MetabolitesFiehn228.079C14H12O3
itaconic acid811Primary MetabolitesFiehn130.027C5H6O4
Bis(2-hydroxypropyl)amine8086Primary MetabolitesFiehn133.11C6H15NO2
pyridoxine1054Primary MetabolitesFiehn169.074C8H11NO3
sinapyl alcohol5280507Primary MetabolitesFiehn210.089C11H14O4
Tryptophol10685Primary MetabolitesFiehn161.084C10H11NO
dihydrolanosterol440560Primary MetabolitesFiehn428.402C30H52O
20alpha-Hydroxycholesterol (5-CHOLESTEN-3β,20α-DIOL )121935Primary MetabolitesFiehn402.35C27H46O2
cortisone222786Primary MetabolitesFiehn360.194C21H28O5
thymol6989Primary MetabolitesFiehn150.104C10H14O
4-acetylbutyric acid18407Primary MetabolitesFiehn130.063C6H10O3
21-hydroxypregnenolone440705Primary MetabolitesFiehn332.235C21H32O3
1,5-Anhydroglucitol64960Primary MetabolitesFiehn164.068C6H12O5
2-Amino-2-norbornanecarboxylic acid115288Primary MetabolitesFiehn155.095C8H13NO2
purine riboside (Purine-9-D-ribofuranoside)68368Primary MetabolitesFiehn252.086C10H12N4O4
L-serine5951Primary MetabolitesFiehn105.043C3H7NO3
serine617Primary MetabolitesFiehn105.043C3H7NO3
DL-3,4-dihydroxyphenyl glycol91528Primary MetabolitesFiehn170.058C8H10O4
DL-Anabasine2181Primary MetabolitesFiehn162.116C10H14N2
oxalic acid971Primary MetabolitesFiehn89.995C2H2O4
testosterone6013Primary MetabolitesFiehn288.209C19H28O2
N-acetyl-5-hydroxytryptamine903Primary MetabolitesFiehn218.106C12H14N2O2
vanillin1183Primary MetabolitesFiehn152.047C8H8O3
PE(18:1(9Z)/18:1(9Z))9546757Complex lipidsFiehn743.546C41H78NO8P
tyrosine methyl ester70652Primary MetabolitesFiehn195.09C10H13NO3
2-Deoxyuridine13712Primary MetabolitesFiehn228.075C9H12N2O5
piperine638024Primary MetabolitesFiehn285.136C17H19NO3
prostaglandin A25280880Primary MetabolitesFiehn334.214C20H30O4
nornicotine ((+/-)-Nornicotine)412Primary MetabolitesFiehn148.1C9H12N2
SM(d18:1/18:1(9Z))6443882Complex lipidsFiehn728.583C41H81N2O6P
phosphoric acid (ortho-Phosphoric acid)1004Primary MetabolitesFiehn97.977H3O4P
iminodiacetic acid8897Primary MetabolitesFiehn133.038C4H7NO4
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z))52923693Complex lipidsFiehn831.578C48H82NO8P
(−)-perillyl alcohol369312Primary MetabolitesFiehn152.12C10H16O
phenyl-beta-glucopyranoside (Phenyl beta-D-glucopyranoside)65080Primary MetabolitesFiehn256.095C12H16O6
L-menthone26447Primary MetabolitesFiehn154.136C10H18O
atrazin-2-hydroxy16553Primary MetabolitesFiehn197.128C8H15N5O
DEHYDROABIETIC ACID94391Primary MetabolitesFiehn300.209C20H28O2
salicin5145Primary MetabolitesFiehn286.105C13H18O7
erythrose 4-phosphate122357Primary MetabolitesFiehn200.009C4H9O7P
(+)-6-aminopenicillanic acid11082Primary MetabolitesFiehn216.057C8H12N2O3S
4-hydroxycinnamic acid (D-erythro-sphingosine) (p-Coumaric acid)637542Primary MetabolitesFiehn164.047C9H8O3
pyridoxal 5′-phosphate1051Primary MetabolitesFiehn247.025C8H10NO6P
fluorene6853Primary MetabolitesFiehn166.078C13H10
cycloleucine2901Primary MetabolitesFiehn129.079C6H11NO2
3-(4-hydroxyphenyl)propionic acid10394Primary MetabolitesFiehn166.063C9H10O3
mandelonitrile10758Primary MetabolitesFiehn133.053C8H7NO
3-hydroxy-3-methylglutaric acid (dicrotalic acid)1662Primary MetabolitesFiehn162.053C6H10O5
Aminooxyacetic acid286Primary MetabolitesFiehn91.027C2H5NO3
PE(P-16:0/20:2(11Z,14Z))52925059Complex lipidsFiehn727.552C41H78NO7P
Allantoic acid203Primary MetabolitesFiehn176.055C4H8N4O4
octanal (Octyl Aldehyde)454Primary MetabolitesFiehn128.12C8H16O
5β-ANDROSTAN-17β-OL-3-ONE (dihydrotestosterone)10635Primary MetabolitesFiehn290.225C19H30O2
2-Amino-3-methyl-1-butanol (Levoglucosan)79019Primary MetabolitesFiehn103.1C5H13NO
guanosine6802Primary MetabolitesFiehn283.092C10H13N5O5
(+) -4-cholesten-3-one91477Primary MetabolitesFiehn384.339C27H44O
4-Cholesten-3-one440Primary MetabolitesFiehn384.339C27H44O
isocitric acid1198Primary MetabolitesFiehn192.027C6H8O7
L-pyroglutamic acid (oxoproline)7405Primary MetabolitesFiehn129.043C5H7NO3
arginine (L-Arginine)6322Primary MetabolitesFiehn174.112C6H14N4O2
malonic acid867Primary MetabolitesFiehn104.011C3H4O4
2,4-diaminobutyric acid470Primary MetabolitesFiehn118.074C4H10N2O2
biuret7913Primary MetabolitesFiehn103.038C2H5N3O2
4-isopropylbenzyl alcohol (cuminic alcohol)325Primary MetabolitesFiehn150.104C10H14O
1,2-CYCLOHEXANEDIONE13006Primary MetabolitesFiehn112.052C6H8O2
orcinol (5-METHYLRESORCINOL)10436Primary MetabolitesFiehn124.052C7H8O2
adenosine60961Primary MetabolitesFiehn267.097C10H13N5O4
5,6-dihydrouracil649Primary MetabolitesFiehn114.043C4H6N2O2
3-hydroxybenzyl alcohol102Primary MetabolitesFiehn124.052C7H8O2
CORTICOSTERONE5753Primary MetabolitesFiehn346.214C21H30O4
L-proline145742Primary MetabolitesFiehn115.063C5H9NO2
o-Hydroxyhippuric acid10253Primary MetabolitesFiehn195.053C9H9NO4
4-hydroxy-6-methyl-2-pyrone12663Primary MetabolitesFiehn126.032C6H6O3
Cytosine597Primary MetabolitesFiehn111.043C4H5N3O
diethyl oxalpropionate (2,8-Dihydroxyquinoline)97750Primary MetabolitesFiehn202.084C9H14O5
N-acetyl-L-aspartic acid65065Primary MetabolitesFiehn175.048C6H9NO5
DL-dihydrosphingosine3126Primary MetabolitesFiehn301.298C18H39NO2
D-Tyrosine71098Primary MetabolitesFiehn181.074C9H11NO3
L-tyrosine6057Primary MetabolitesFiehn181.074C9H11NO3
2-amino-3-(4-hydroxyphenyl)propanoic acid (DL-Tyrosine)1153Primary MetabolitesFiehn181.074C9H11NO3
N-Acetyl-D-glucosamine24139Primary MetabolitesFiehn221.09C8H15NO6
N-acetyl-D-mannosamine13201636Primary MetabolitesFiehn221.09C8H15NO6
N-Acetyl-D-galactosamine35717Primary MetabolitesFiehn221.09C8H15NO6
linoleic acid5280450Primary MetabolitesFiehn280.24C18H32O2
alpha-Aminoadipic acid469Primary MetabolitesFiehn161.069C6H11NO4
5-cholesten-3-beta-7-alpha-diol (7-alpha-Hydroxycholesterol)(7β-Hydroxycholesterol)107722Primary MetabolitesFiehn402.35C27H46O2
cyclohexylamine (cyclohexanamine)7965Primary MetabolitesFiehn99.105C6H13N
1-Aminocyclopropanecarboxylic acid535Primary MetabolitesFiehn101.048C4H7NO2
aniline6115Primary MetabolitesFiehn93.058C6H7N
cis-sinapinic acid1549091Primary MetabolitesFiehn224.068C11H12O5
3,5-dimethoxy-4-hydroxycinnamic acid (sinapinic acid)637775Primary MetabolitesFiehn224.068C11H12O5
glycerol753Primary MetabolitesFiehn92.047C3H8O3
MALEIMIDE10935Primary MetabolitesFiehn97.016C4H3NO2
coprostan-3-one85881Primary MetabolitesFiehn386.355C27H46O
5alpha-cholestan-3-one92128Primary MetabolitesFiehn386.355C27H46O
spermine1103Primary MetabolitesFiehn202.216C10H26N4
(+)-catechin9064Primary MetabolitesFiehn290.079C15H14O6
(-)-epicatechin72276Primary MetabolitesFiehn290.079C15H14O6
trans-cyclohexane-1,2-diol92886Primary MetabolitesFiehn116.084C6H12O2
cyclohexane-1,2-diol13601Primary MetabolitesFiehn116.084C6H12O2
3-methylcatechol340Primary MetabolitesFiehn124.052C7H8O2
(S)-Carnitine2724480Primary MetabolitesFiehn161.105C7H15NO3
Carnitine288Primary MetabolitesFiehn161.105C7H15NO3
L-carnitine10917Primary MetabolitesFiehn161.105C7H15NO3
Carnitine10917Complex lipidsFiehn161.105C7H15NO3
D-(+)-Gluconic acid δ-lactone7027Primary MetabolitesFiehn178.048C6H10O6
3-(1-Pyrazolyl)-L-alanine151491Primary MetabolitesFiehn155.069C6H9N3O2
PC(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))52923293Complex lipidsFiehn807.578C46H82NO8P
sucrose-6-phosphate439762Primary MetabolitesFiehn422.083C12H23O14P
4-aminophenol403Primary MetabolitesFiehn109.053C6H7NO
trans-4-hydroxy-L-proline5810Primary MetabolitesFiehn131.058C5H9NO3
2-hydroxycinnamic acid (o-coumaric acid)637540Primary MetabolitesFiehn164.047C9H8O3
cis-o-coumarinic acid5280841Primary MetabolitesFiehn164.047C9H8O3
4-hydroxyquinoline69141Primary MetabolitesFiehn145.053C9H7NO
D-(+)-Fucose94270Primary MetabolitesFiehn164.068C6H12O5
L-(−)-fucose3034656Primary MetabolitesFiehn164.068C6H12O5
tetracosane12592Primary MetabolitesFiehn338.391C24H50
lauric acid3893Primary MetabolitesFiehn200.178C12H24O2
ribose-5-phosphate77982Primary MetabolitesFiehn230.019C5H11O8P
ALDOSTERONE5839Primary MetabolitesFiehn360.194C21H28O5
estriol5756Primary MetabolitesFiehn288.173C18H24O3
PC(20:4(5Z,8Z,11Z,14Z)/16:0)24779073Complex lipidsFiehn781.562C44H80NO8P
nicotinic acid938Primary MetabolitesFiehn123.032C6H5NO2
palatinose439559Primary MetabolitesFiehn342.116C12H22O11
11-beta-prostaglandin-F-2-alpha5280886Primary MetabolitesFiehn354.241C20H34O5
orotic acid967Primary MetabolitesFiehn156.017C5H4N2O4
ribose5311110Primary MetabolitesFiehn150.053C5H10O5
D-lyxose65550Primary MetabolitesFiehn150.053C5H10O5
D-(+)-Xylose644160Primary MetabolitesFiehn150.053C5H10O5
N-formyl-L-methionine439750Primary MetabolitesFiehn177.046C6H11NO3S
LysoPE(18:1n9)9547071Complex lipidsFiehn479.301C23H46NO7P
sophorose92797Primary MetabolitesFiehn342.116C12H22O11
3,4-dihydroxycinnamic acid689043Primary MetabolitesFiehn180.042C9H8O4
caffeic acid1549111Primary MetabolitesFiehn180.042C9H8O4
sulfuric acid1118Primary MetabolitesFiehn97.967H2O4S
phloroglucinol359Primary MetabolitesFiehn126.032C6H6O3
DL-3-aminoisobutyric acid64956Primary MetabolitesFiehn103.063C4H9NO2
methionine sulfoxide847Primary MetabolitesFiehn165.046C5H11NO3S
L-methionine sulfoxide158980Primary MetabolitesFiehn165.046C5H11NO3S
icasonic acid methyl ester (methyl icosanoate)14259Primary MetabolitesFiehn326.318C21H42O2
androsterone5879Primary MetabolitesFiehn290.225C19H30O2
3-methyl-2-oxobutanoic acid (2-keto-isovalerate)49Primary MetabolitesFiehn116.047C5H8O3
PE(16:1(9Z)/16:0)52924223Complex lipidsFiehn689.5C37H72NO8P
1-Monopalmitin14900Primary MetabolitesFiehn330.277C19H38O4
hippuric acid464Primary MetabolitesFiehn179.058C9H9NO3
hydroquinone785Primary MetabolitesFiehn110.037C6H6O2
stearic acid5281Primary MetabolitesFiehn284.272C18H36O2
tryptophan1148Primary MetabolitesFiehn204.09C11H12N2O2
L-tryptophan6305Primary MetabolitesFiehn204.09C11H12N2O2
PC(18:1(9Z)/16:1(9Z))24778935Complex lipidsFiehn757.562C42H80NO8P
PC(20:1(11Z)/18:1(9Z))52923113Complex lipidsFiehn813.625C46H88NO8P
4-Hydroxyquinazoline63112Primary MetabolitesFiehn146.048C8H6N2O
alanine (DL-Alanine)602Primary MetabolitesFiehn89.048C3H7NO2
1-Indanone6735Primary MetabolitesFiehn132.058C9H8O
cis-1,2-dihydro-1,2-naphthalenediol ((1R,2S)-cis-1,2-dihydro-1,2-naphthalenediol)440294Primary MetabolitesFiehn162.068C10H10O2
N-Oleoyldopamine5282106Primary MetabolitesFiehn417.324C26H43NO3
SM(d16:1/18:1)52931143Complex lipidsFiehn700.552C39H77N2O6P
ciliatine339Primary MetabolitesFiehn125.024C2H8NO3P
Homovanillic acid1738Primary MetabolitesFiehn182.058C9H10O4
docosanoic acid, methyl ester13584Primary MetabolitesFiehn354.35C23H46O2
3-(3-hydroxyphenyl)propionic acid91Primary MetabolitesFiehn166.063C9H10O3
melezitose (D-(+)-melezitose)92817Primary MetabolitesFiehn504.169C18H32O16
o-cresol335Primary MetabolitesFiehn108.058C7H8O
Butyryl carnitine213144Complex lipidsFiehn231.147C11H21NO4
xanthotoxin4114Primary MetabolitesFiehn216.042C12H8O4
Cholestan-3beta-ol6665Primary MetabolitesFiehn388.371C27H48O
cholecalciferol5280795Primary MetabolitesFiehn384.339C27H44O
Lignoceric acid11197Primary MetabolitesFiehn368.365C24H48O2
1,3,5(10)-estratrien-3,6- beta-17-beta-triol440168Primary MetabolitesFiehn288.173C18H24O3
5beta-androstane-3,17-dione440114Primary MetabolitesFiehn288.209C19H28O2
5β-ANDROSTAN-3,17-DIONE222865Primary MetabolitesFiehn288.209C19H28O2
D-Glyceric acid439194Primary MetabolitesFiehn106.027C3H6O4
Acetylcarnitine7045767Complex lipidsFiehn203.116C9H17NO4
N-acetyl-L-glutamic acid70914Primary MetabolitesFiehn189.064C7H11NO5
alizarin6293Primary MetabolitesFiehn240.042C14H8O4
4-hydroxybenzaldehyde126Primary MetabolitesFiehn122.037C7H6O2
3,4-dihydroxymandelic acid85782Primary MetabolitesFiehn184.037C8H8O5
Galactonic acid128869Primary MetabolitesFiehn196.058C6H12O7
gluconic acid604Primary MetabolitesFiehn196.058C6H12O7
2'-Deoxycytidine 5'-triphosphate65091Primary MetabolitesFiehn466.99C9H16N3O13P3
L-citrulline9750Primary MetabolitesFiehn175.096C6H13N3O3
tetrahydrocorticosterone65553Primary MetabolitesFiehn350.246C21H34O4
1-Methylhydantoin69217Primary MetabolitesFiehn114.043C4H6N2O2
5-beta-cholestan-3-alpha-7-alpha-12-alpha-triol (3,7,12-Trihydroxycoprostane)160520Primary MetabolitesFiehn420.36C27H48O3
progesterone5994Primary MetabolitesFiehn314.225C21H30O2
lyxonic acid, 1,4-lactone, 3TMS6427169Primary MetabolitesFiehn364.156C14H32O5Si3
hyoscyamine (atropine)3661Primary MetabolitesFiehn289.168C17H23NO3
phytanic acid26840Primary MetabolitesFiehn312.303C20H40O2
m-cresol342Primary MetabolitesFiehn108.058C7H8O
3-isopropylmalate5462261Primary MetabolitesFiehn176.068C7H12O5
2-isopropylmalate36Primary MetabolitesFiehn176.068C7H12O5
tartronic acid45Primary MetabolitesFiehn120.006C3H4O5
scopoletin5280460Primary MetabolitesFiehn192.042C10H8O4
leucine857Primary MetabolitesFiehn131.095C6H13NO2
L-leucine6106Primary MetabolitesFiehn131.095C6H13NO2
guanosine-5'-monophosphate6804Primary MetabolitesFiehn363.058C10H14N5O8P
PC(18:1(9Z)/16:0)24778933Complex lipidsFiehn759.578C42H82NO8P
3-Indolepyruvic acid803Primary MetabolitesFiehn203.058C11H9NO3
abietic acid10569Primary MetabolitesFiehn302.225C20H30O2
PC(18:2(9Z,12Z)/18:1(9Z))52922727Complex lipidsFiehn783.578C44H82NO8P
chrysin5281607Primary MetabolitesFiehn254.058C15H10O4
turanose5460935Primary MetabolitesFiehn342.116C12H22O11
SM(d18:1/16:0)9939941Complex lipidsFiehn702.568C39H79N2O6P
thymine1135Primary MetabolitesFiehn126.043C5H6N2O2
L-glutathione124886Primary MetabolitesFiehn307.084C10H17N3O6S
Monoolein (1-Oleoyl-rac-glycerol)5283468Primary MetabolitesFiehn356.293C21H40O4
adrenosterone223997Primary MetabolitesFiehn300.173C19H24O3
palmitoleic acid445638Primary MetabolitesFiehn254.225C16H30O2
3-indoleacetic acid802Primary MetabolitesFiehn175.063C10H9NO2
palatinitol3034828Primary MetabolitesFiehn344.132C12H24O11
norepinephrine (noradrenaline)439260Primary MetabolitesFiehn169.074C8H11NO3
noradrenaline951Primary MetabolitesFiehn169.074C8H11NO3
D-Erythronic acid gamma-Lactone5325915Primary MetabolitesFiehn118.027C4H6O4
6-deoxy-D-glucose441480Primary MetabolitesFiehn164.068C6H12O5
picolinic acid1018Primary MetabolitesFiehn123.032C6H5NO2
1-Hydroxy-2-naphthoic acid6844Primary MetabolitesFiehn188.047C11H8O3
4-hydroxybutyrate10413Primary MetabolitesFiehn104.047C4H8O3
dehydroshikimic acid80Primary MetabolitesFiehn172.037C7H8O5
2-FUROIC ACID6919Primary MetabolitesFiehn112.016C5H4O3
salicylaldehyde6998Primary MetabolitesFiehn122.037C7H6O2
norvaline65098Primary MetabolitesFiehn117.079C5H11NO2
PC(18:1(9Z)/18:1(9Z))10350317Complex lipidsFiehn785.593C44H84NO8P
D-panthenol131204Primary MetabolitesFiehn205.131C9H19NO4
oxamic acid974Primary MetabolitesFiehn89.011C2H3NO3
Hydantoin, 5-(4-hydroxybutyl)95514Primary MetabolitesFiehn172.085C7H12N2O3
O-phosphocolamine (O-phosphorylethanolamine)1015Primary MetabolitesFiehn141.019C2H8NO4P
Acylcarnitine C20:2n/aComplex lipidsFiehn  
N-cyclohexylformamide13017Primary MetabolitesFiehn127.1C7H13NO
2-HYDROXYESTRONE440623Primary MetabolitesFiehn286.157C18H22O3
1,3,5(10)-ESTRATRIEN-2,3-DIOL-17-ONE9685Primary MetabolitesFiehn286.157C18H22O3
4-Hydroxy-4-methyl-2-pentanone31256Primary MetabolitesFiehn116.084C6H12O2
2-Amino-3-methoxybenzoic acid255720Primary MetabolitesFiehn167.058C8H9NO3
lactamide94220Primary MetabolitesFiehn89.048C3H7NO2
glutaraldehyde3485Primary MetabolitesFiehn100.052C5H8O2
L-gulonic acid γ-lactone439373Primary MetabolitesFiehn178.048C6H10O6
myristic acid11005Primary MetabolitesFiehn228.209C14H28O2
Acylcarnitine C12:1n/aComplex lipidsFiehn  
dibenzofuran568Primary MetabolitesFiehn168.058C12H8O
trans,trans-muconic acid5356793Primary MetabolitesFiehn142.027C6H6O4
2-oxobutyrate58Primary MetabolitesFiehn102.032C4H6O3
L-ascorbic acid5785Primary MetabolitesFiehn176.032C6H8O6
ascorbate235Primary MetabolitesFiehn176.032C6H8O6
xanthosine1189Primary MetabolitesFiehn284.076C10H12N4O6
2-hydroxypyridine8871Primary MetabolitesFiehn95.037C5H5NO
Beta- alanine239Primary MetabolitesFiehn89.048C3H7NO2
adrenaline ((-)-Epinephrine)5816Primary MetabolitesFiehn183.09C9H13NO3
Adenosine 5'-monophosphate6083Primary MetabolitesFiehn347.063C10H14N5O7P
adenosine-5-monophosphate224Primary MetabolitesFiehn347.063C10H14N5O7P
2-aminoethanethiol6058Primary MetabolitesFiehn77.03C2H7NS
naphthalene931Primary MetabolitesFiehn128.063C10H8
Glucosaminic acid73563Primary MetabolitesFiehn195.074C6H13NO6
inosine6021Primary MetabolitesFiehn268.081C10H12N4O5
cytidine596Primary MetabolitesFiehn243.086C9H13N3O5
PE(18:1(9Z)/16:1(9Z))52924899Complex lipidsFiehn715.515C39H74NO8P
6-methylmercaptopurine5778Primary MetabolitesFiehn166.031C6H6N4S
N-(3-aminopropyl)-morpholine61055Primary MetabolitesFiehn144.126C7H16N2O
succinate semialdehyde1112Primary MetabolitesFiehn102.032C4H6O3
PC(16:0/14:0)24778679Complex lipidsFiehn705.531C38H76NO8P
carbazole6854Primary MetabolitesFiehn167.073C12H9N
L-homoserine12647Primary MetabolitesFiehn119.058C4H9NO3
behenic acid8215Primary MetabolitesFiehn340.334C22H44O2
(R)-(-)-carvone7439Primary MetabolitesFiehn150.104C10H14O
2-amino-1-phenylethanol1000Primary MetabolitesFiehn137.084C8H11NO
2-INDANONE11983Primary MetabolitesFiehn132.058C9H8O
D-threitol169019Primary MetabolitesFiehn122.058C4H10O4
alpha-Ecdysone19212Primary MetabolitesFiehn464.314C27H44O6
2-Monoolein (2-oleoylglycerol)5319879Primary MetabolitesFiehn356.293C21H40O4
dodecanoic acid methyl ester (methyl dodecanoate)8139Primary MetabolitesFiehn214.193C13H26O2
8-aminocaprylic acid66085Primary MetabolitesFiehn159.126C8H17NO2
PE(P-18:0/20:4)9547058Complex lipidsFiehn751.552C43H78NO7P
N-carbobenzyloxy-L-leucine74840Primary MetabolitesFiehn265.131C14H19NO4
O-phospho-L-threonine3246323Primary MetabolitesFiehn199.025C4H10NO6P
O-phosphonothreonine1016Primary MetabolitesFiehn199.025C4H10NO6P
PC(20:3(8Z,11Z,14Z)/18:0)52923231Complex lipidsFiehn811.609C46H86NO8P
phenaceturic acid68144Primary MetabolitesFiehn193.074C10H11NO3
PE(P-16:0/20:4(5Z,8Z,11Z,14Z))52925126Complex lipidsFiehn723.52C41H74NO7P
2-amino-2-methyl-1,3-propanediol1531Primary MetabolitesFiehn105.079C4H11NO2
lumazine10250Primary MetabolitesFiehn164.033C6H4N4O2
4-acetamidobutyric acid18189Primary MetabolitesFiehn145.074C6H11NO3
1-Kestose440080Primary MetabolitesFiehn504.169C18H32O16
Monostearin (1-Stearoyl-rac-glycerol)24699Primary MetabolitesFiehn358.308C21H42O4
2-Keto-L-gulonic acid102424Primary MetabolitesFiehn194.043C6H10O7
galactinol439451Primary MetabolitesFiehn342.116C12H22O11
D-glucose-6-phosphate439958Primary MetabolitesFiehn260.03C6H13O9P
PE(20:4(5Z,8Z,11Z,14Z)/18:1(9Z))52924645Complex lipidsFiehn765.531C43H76NO8P
phloretin4788Primary MetabolitesFiehn274.084C15H14O5
flavone10680Primary MetabolitesFiehn222.068C15H10O2
L-dithiothreitol439196Primary MetabolitesFiehn154.012C4H10O2S2
Dithioerythritol19001Primary MetabolitesFiehn154.012C4H10O2S2
1,4-dithioerythritol439352Primary MetabolitesFiehn154.012C4H10O2S2
hexacosanoic acid methyl ester (METHYL HEXACOSANOATE)22048Primary MetabolitesFiehn410.412C27H54O2
arachidic acid10467Primary MetabolitesFiehn312.303C20H40O2
dihydrocoumarin660Primary MetabolitesFiehn148.052C9H8O2
1,4-Dihydroxy-2-naphthoic acid671Primary MetabolitesFiehn204.042C11H8O4
3-phenyllactic acid3848Primary MetabolitesFiehn166.063C9H10O3
Epiestradiol68570Primary MetabolitesFiehn272.178C18H24O2
1,3,5(10)-ESTRATRIEN-3,17α-DIOL (estradiol)5757Primary MetabolitesFiehn272.178C18H24O2
maltitol16217663Primary MetabolitesFiehn344.132C12H24O11
lactitol91476Primary MetabolitesFiehn344.132C12H24O11
Cellobiotol160514Primary MetabolitesFiehn344.132C12H24O11
4-quinolinecarboxylic acid10243Primary MetabolitesFiehn173.048C10H7NO2
2-deoxy-D-glucose (2-Deoxy-D-galactose)108223Primary MetabolitesFiehn164.068C6H12O5
hydroxyurea3657Primary MetabolitesFiehn76.027CH4N2O2
guanidinosuccinic acid97856Primary MetabolitesFiehn175.059C5H9N3O4
flavin adenine dinucleotide643975Primary MetabolitesFiehn785.157C27H33N9O15P2
LysoPC(14:0)460604Complex lipidsFiehn467.301C22H46NO7P
fumaric acid444972Primary MetabolitesFiehn116.011C4H4O4
maleic acid444266Primary MetabolitesFiehn116.011C4H4O4
acetyl-L-serine (O-acetylserine)189Primary MetabolitesFiehn147.053C5H9NO4
cinnamic acid444539Primary MetabolitesFiehn148.052C9H8O2
benzylamine7504Primary MetabolitesFiehn107.073C7H9N
Cortexolone (Reichstein´s Substances)9050Primary MetabolitesFiehn346.214C21H30O4
3-hydroxybutyric acid441Primary MetabolitesFiehn104.047C4H8O3
(S)-3-Hydroxybutyric acid94318Primary MetabolitesFiehn104.047C4H8O3
2-METHOXYESTRONE [ 1,3,5(10)-ESTRATRIEN-2,3-DIOL-17-ONE2-METHYLETHER ]440624Primary MetabolitesFiehn300.173C19H24O3
glutamic acid611Primary MetabolitesFiehn147.053C5H9NO4
L-Glutamic acid33032Primary MetabolitesFiehn147.053C5H9NO4
Methoxamedrine6082Primary MetabolitesFiehn211.121C11H17NO3
3,4-dimethoxybenzaldehyde8419Primary MetabolitesFiehn166.063C9H10O3
3-hydroxyanthranilic acid86Primary MetabolitesFiehn153.043C7H7NO3
vanillic acid (4-hydroxy-3-methoxybenzoic acid)8468Primary MetabolitesFiehn168.042C8H8O4
pimelic acid385Primary MetabolitesFiehn160.074C7H12O4
PHENYLACETIC ACID999Primary MetabolitesFiehn136.052C8H8O2
adipic acid196Primary MetabolitesFiehn146.058C6H10O4
3-Methylamino-1,2-propanediol2734122Primary MetabolitesFiehn105.079C4H11NO2
benzoic acid243Primary MetabolitesFiehn122.037C7H6O2
pentadecanoic acid13849Primary MetabolitesFiehn242.225C15H30O2
pyrogallol1057Primary MetabolitesFiehn126.032C6H6O3
galactose6036Primary MetabolitesFiehn180.063C6H12O6
pyrrole -2-carboxylic acid12473Primary MetabolitesFiehn111.032C5H5NO2
malonamide7911Primary MetabolitesFiehn102.043C3H6N2O2
(-)-Dihydrocarveol37894Primary MetabolitesFiehn154.136C10H18O
4-androsten-11-beta-ol-3,17-dione94141Primary MetabolitesFiehn302.188C19H26O3
3-(3,4-Dihydroxyphenyl)-L-alanine [L-DOPA]6047Primary MetabolitesFiehn197.069C9H11NO4
L-3,4-Dihydroxyphenylalanine836Primary MetabolitesFiehn197.069C9H11NO4
citral638011Primary MetabolitesFiehn152.12C10H16O
Linoleic acid methyl ester5284421Primary MetabolitesFiehn294.256C19H34O2
5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one (Biochanin A = 5,7-Dihydroxy-4'-Methoxyisoflavone)5280373Primary MetabolitesFiehn284.068C16H12O5
5′-deoxy-5′-(methylthio)adenosine (5'-methylthioadenosine)439176Primary MetabolitesFiehn297.09C11H15N5O3S
benzyl alcohol244Primary MetabolitesFiehn108.058C7H8O
PE(P-16:0/22:6)5283497Complex lipidsFiehn747.52C43H74NO7P
N-methylanthranilic acid67069Primary MetabolitesFiehn151.063C8H9NO2
Sphingosine5280335Complex lipidsFiehn299.282C18H37NO2
caprylic acid379Primary MetabolitesFiehn144.115C8H16O2
N-acetyl-L-leucine70912Primary MetabolitesFiehn173.105C8H15NO3
gentisic acid3469Primary MetabolitesFiehn154.027C7H6O4
paraoxon ethyl9395Primary MetabolitesFiehn275.056C10H14NO6P
3,6-Anhydro-D-galactose16069996Primary MetabolitesFiehn162.053C6H10O5
Prostaglandin E2158Primary MetabolitesFiehn352.225C20H32O5
1,3-diaminopropane428Primary MetabolitesFiehn74.084C3H10N2
citramalic acid439766Primary MetabolitesFiehn148.037C5H8O5
3-indolelactic acid (Indolelactate)92904Primary MetabolitesFiehn205.074C11H11NO3
4-Androsten-19-ol-3,17-dione252379Primary MetabolitesFiehn302.188C19H26O3
maltotriitol3625615Primary MetabolitesFiehn506.185C18H34O16
alpha-santonin221071Primary MetabolitesFiehn246.126C15H18O3
3-METHYLGLUTARIC ACID12284Primary MetabolitesFiehn146.058C6H10O4
4-nitrocatechol3505109Primary MetabolitesFiehn155.022C6H5NO4
Nω-acetylhistamine (N-omega-Acetylhistamine)69602Primary MetabolitesFiehn153.09C7H11N3O
N-Methyl-L-glutamic acid439377Primary MetabolitesFiehn161.069C6H11NO4
acetol8299Primary MetabolitesFiehn74.037C3H6O2
Cerotinic acid10469Primary MetabolitesFiehn396.397C26H52O2
hydrocinnamic acid107Primary MetabolitesFiehn150.068C9H10O2
epigallocatechin72277Primary MetabolitesFiehn306.074C15H14O7
5-alpha-pregnan-3,20-dione (5-alpha-Dihydroprogesterone; 5α-PREGNAN-3,20-DIONE )92810Primary MetabolitesFiehn316.24C21H32O2
phthalic acid1017Primary MetabolitesFiehn166.027C8H6O4
2-ketocaproic acid159664Primary MetabolitesFiehn130.063C6H10O3
taurine1123Primary MetabolitesFiehn125.015C2H7NO3S
Acylcarnitine C16:016902Complex lipidsFiehn399.335C23H45NO4
pyrophosphate1023Primary MetabolitesFiehn177.943H4O7P2
D-Fructose 1,6-bisphosphate84951Primary MetabolitesFiehn339.996C6H14O12P2
4-hydroxyphenylacetic acid127Primary MetabolitesFiehn152.047C8H8O3
urea1176Primary MetabolitesFiehn60.032CH4N2O
tetracosanoic acid methyl ester (Methyl tetracosanoate)75546Primary MetabolitesFiehn382.381C25H50O2
L-Cysteine5862Primary MetabolitesFiehn121.02C3H7NO2S
L-cysteine594Primary MetabolitesFiehn121.02C3H7NO2S
2-piperidone (5-aminovaleric acid lactam)12665Primary MetabolitesFiehn99.068C5H9NO
Glutaconic acid5280498Primary MetabolitesFiehn130.027C5H6O4
L-cysteic acid72886Primary MetabolitesFiehn169.004C3H7NO5S
4-nitrophenyl phosphate378Primary MetabolitesFiehn218.993C6H6NO6P
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0)24779131Complex lipidsFiehn805.562C46H80NO8P
LysoPC(18:1(9Z))16081932Complex lipidsFiehn521.348C26H52NO7P
biotin171548Primary MetabolitesFiehn244.088C10H16N2O3S
2-(4-hydroxyphenyl)ethanol10393Primary MetabolitesFiehn138.068C8H10O2
catechol289Primary MetabolitesFiehn110.037C6H6O2
5-Dihydrocortisone [ 5α-PREGNAN-17,21-DIOL-3,11,20-TRIONE ]65554Primary MetabolitesFiehn362.209C21H30O5
N,N-dimethylarginine123831Primary MetabolitesFiehn202.143C8H18N4O2
L-kynurenine161166Primary MetabolitesFiehn208.085C10H12N2O3
salicylic acid (o-Hydroxybenzoic acid)338Primary MetabolitesFiehn138.032C7H6O3
3-Hexenedioic acid107550Primary MetabolitesFiehn144.042C6H8O4
4-nitroquinoline N-oxide5955Primary MetabolitesFiehn190.038C9H6N2O3
farnesal5280598Primary MetabolitesFiehn220.183C15H24O
DL-4-hydroxymandelic acid328Primary MetabolitesFiehn168.042C8H8O4
1-INDANOL22819Primary MetabolitesFiehn134.073C9H10O
oxamide10113Primary MetabolitesFiehn88.027C2H4N2O2
10-Hydroxydecanoic acid74300Primary MetabolitesFiehn188.141C10H20O3
2'-deoxyguanosine187790Primary MetabolitesFiehn267.097C10H13N5O4
2,3-dihydroxybiphenyl (3-phenylcatechol)254Primary MetabolitesFiehn186.068C12H10O2
9-fluorenone10241Primary MetabolitesFiehn180.058C13H8O
phosphomycin31669Primary MetabolitesFiehn138.008C3H7O4P
CHOLESTAN-3β,5α,6β-TRIOL (Cholestane-3,5,6-triol, (3.beta.,5.alpha.,6.beta.)-)91498Primary MetabolitesFiehn420.36C27H48O3
phenanthrene995Primary MetabolitesFiehn178.078C14H10
N-ethylglycine316542Primary MetabolitesFiehn103.063C4H9NO2
d-Glucoheptose76599Primary MetabolitesFiehn210.074C7H14O7
3,4-dihydroxybenzoic acid72Primary MetabolitesFiehn154.027C7H6O4
(+/-)-Synephrine667452Primary MetabolitesFiehn167.095C9H13NO2
synephrine7172Primary MetabolitesFiehn167.095C9H13NO2
decanoic acid methyl ester (methyl decanoate)8050Primary MetabolitesFiehn186.162C11H22O2
Erythrose94176Primary MetabolitesFiehn120.042C4H8O4
citric acid311Primary MetabolitesFiehn192.027C6H8O7
Fructose 2,6-biphosphate105021Primary MetabolitesFiehn339.996C6H14O12P2
squalene638072Primary MetabolitesFiehn410.391C30H50
arachidonic acid444899Primary MetabolitesFiehn304.24C20H32O2
tocopherol acetate86472Primary MetabolitesFiehn472.392C31H52O3
tetradecanoic acid methyl ester (Methyl myristate )31284Primary MetabolitesFiehn242.225C15H30O2
4-methylcatechol9958Primary MetabolitesFiehn124.052C7H8O2
nicotinoylglycine68499Primary MetabolitesFiehn180.053C8H8N2O3
halostachine6950649Primary MetabolitesFiehn151.1C9H13NO
3,4-Dihydroxypyridine105085Primary MetabolitesFiehn111.032C5H5NO2
saccharopine1087Primary MetabolitesFiehn276.132C11H20N2O6
L-Saccharopine160556Primary MetabolitesFiehn276.132C11H20N2O6
L-glutamine5961Primary MetabolitesFiehn146.069C5H10N2O3
Allylmalonic acid75748Primary MetabolitesFiehn144.042C6H8O4
4-hydroxy-3-methoxybenzyl alcohol62348Primary MetabolitesFiehn154.063C8H10O3
p-anisic acid7478Primary MetabolitesFiehn152.047C8H8O3
conduritol beta-epoxide2859Primary MetabolitesFiehn162.053C6H10O5
methylmalonic acid487Primary MetabolitesFiehn118.027C4H6O4
22-Ketocholesterol101465Primary MetabolitesFiehn400.334C27H44O2
7,8-dimethylalloxazine5326566Primary MetabolitesFiehn242.08C12H10N4O2
4-Hydroxymethyl-3-methoxyphenoxyacetic acid134310Primary MetabolitesFiehn212.068C10H12O5
octacosanoic acid methyl ester41518Primary MetabolitesFiehn438.444C29H58O2
aniline-o-sulfonic acid6926Primary MetabolitesFiehn173.015C6H7NO3S
2-mercaptoethanesulfonic acid598Primary MetabolitesFiehn141.976C2H6O3S2
indole-3-acetamide397Primary MetabolitesFiehn174.079C10H10N2O
flavanone10251Primary MetabolitesFiehn224.084C15H12O2
cyclic GMP295Primary MetabolitesFiehn345.047C10H12N5O7P
Guanosine 3',5'-cyclic monophosphate24316Primary MetabolitesFiehn345.047C10H12N5O7P
oleic acid445639Primary MetabolitesFiehn282.256C18H34O2
Elaidic acid637517Primary MetabolitesFiehn282.256C18H34O2
daidzein5281708Primary MetabolitesFiehn254.058C15H10O4
butyraldehyde261Primary MetabolitesFiehn72.058C4H8O
L-homocystine439579Primary MetabolitesFiehn268.055C8H16N2O4S2
Homocystine69382Primary MetabolitesFiehn268.055C8H16N2O4S2
cysteinylglycine65270Primary MetabolitesFiehn178.041C5H10N2O3S
biphenyl7095Primary MetabolitesFiehn154.078C12H10
PE(P-16:0/18:1(9Z))52925128Complex lipidsFiehn701.536C39H76NO7P
2,4-dihydroxypyrimidine-5-carboxylic acid (uracil-5-carboxylic acid)90301Primary MetabolitesFiehn156.017C5H4N2O4