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) 25063347 Lipid Mediators Newman 350.209 C20H30O5
RvE1 (C20:5n3) 25063347 Lipid Mediators Newman 350.209 C20H30O5
Osbonate (C22:5n6) 6441454 Lipid Mediators Newman 330.256 C22H34O2
Nonadeca-10(Z)-enoate (C19:1n9) 5312513 Lipid Mediators Newman 296.272 C19H36O2
16(17)-EpDoPE (C22:6n3) 14392758 Lipid Mediators Newman 344.235 C22H32O3
15-HpETE (C20:4n6) 5280893 Lipid Mediators Newman 336.230 C20H32O4
PGD2 (C20:4n6) 448457 Lipid Mediators Newman 352.225 C20H32O5
LTB5 (C20:5n3) 5283125 Lipid Mediators Newman 334.214 C20H30O4
Eicosenoate (C20:1n9) 5282768 Lipid Mediators Newman 310.287 C20H38O2
12(13)-EpODE (C18:3n3) 16061061 Lipid Mediators Newman 294.219 C18H30O3
14,15-DiHETE (C20:5n3) 16061119 Lipid Mediators Newman 336.230 C20H32O4
OEA (C18:1n9 ) 5283454 Lipid Mediators Newman 325.298 C20H39NO2
PGE3 (C20:5n3) 5280937 Lipid Mediators Newman 350.209 C20H30O5
12(13)-EpOME (C18:2n6) 5356421 Lipid Mediators Newman 296.235 C18H32O3
12,13-DiHOME (C18:2n6) 10236635 Lipid Mediators Newman 314.246 C18H34O4
8(9)-EpETrE (C20:4n6) 5283203 Lipid Mediators Newman 320.235 C20H32O3
8,9-DiHETrE (C20:4n6) 5283144 Lipid Mediators Newman 338.246 C20H34O4
1-AG (C20:4n6 ) 16019980 Lipid Mediators Newman 378.277 C23H38O4
α Linolenate (C18:3n3) 5282822 Lipid Mediators Newman 278.225 C18H30O2
11(12)-EpETrE (C20:4n6) 5283204 Lipid Mediators Newman 320.235 C20H32O3
19,20-DiHDoPE (C22:6n3) 16061148 Lipid Mediators Newman 362.246 C22H34O4
DEA (C22:4n6 ) 5282273 Lipid Mediators Newman 375.314 C24H41NO2
5-HEPE (C20:5n3) 6439678 Lipid Mediators Newman 318.219 C20H30O3
11-HETE (C20:4n6) 5312981 Lipid Mediators Newman 320.235 C20H32O3
DHEA (C22:6n3 ) 44373477 Lipid Mediators Newman 371.282 C24H37NO2
5,6-DiHETrE (C20:4n6) 5283142 Lipid Mediators Newman 338.246 C20H34O4
PGE1 (C20:3n6) 5280723 Lipid Mediators Newman 354.241 C20H34O5
17(18)-EpETE (C20:5n3) 16061089 Lipid Mediators Newman 318.219 C20H30O3
aLEA (C18:3n3 ) 5283449 Lipid Mediators Newman 321.267 C20H35NO2
15(16)-EpODE (C18:3n3) 16061062 Lipid Mediators Newman 294.219 C18H30O3
13-HODE (C18:2n6) 6443013 Lipid Mediators Newman 296.235 C18H32O3
Dihomo-γ-linolenate (C20:3n6) 5280581 Lipid Mediators Newman 306.256 C20H34O2
NO-Gly (C18:1n9 ) 6436908 Lipid Mediators Newman 339.277 C20H37NO3
PEA (C16:0) 4671 Lipid Mediators Newman 299.282 C18H37NO2
2-LG (C18:2n6 ) 5365676 Lipid Mediators Newman 354.277 C21H38O4
Palmitate (C16:0) 985 Lipid Mediators Newman 256.240 C16H32O2
Lipoxin A4 (C20:4n6) 5280914 Lipid Mediators Newman 352.225 C20H32O5
Timnodonate; EPA (C20:5n3) 446284 Lipid Mediators Newman 302.225 C20H30O2
Bovinate (C18:2(9c,11t)-CLA) 5280644 Lipid Mediators Newman 280.240 C18H32O2
13-HpODE (C18:2n6) 5280720 Lipid Mediators Newman 312.230 C18H32O4
9-HpODE (C18:2n6) 6439847 Lipid Mediators Newman 312.230 C18H32O4
13-KODE (C18:2n6) 6446027 Lipid Mediators Newman 294.219 C18H30O3
Stearidonate (C18:4n3) 5282837 Lipid Mediators Newman 276.209 C18H28O2
15-HETE (C20:4n6) 5280724 Lipid Mediators Newman 320.235 C20H32O3
9(10)-EpODE (C18:3n3) 16061060 Lipid Mediators Newman 294.219 C18H30O3
9-HETE (C20:4n6) 5312978 Lipid Mediators Newman 320.235 C20H32O3
Heptadecanoate (C17:0) 10465 Lipid Mediators Newman 270.256 C17H34O2
PGD2 EA (PGD2 ) 5283120 Lipid Mediators Newman 395.267 C22H37NO5
LTB4 (C20:4n6) 5280888 Lipid Mediators Newman 370.236 C20H34O6
6-keto-PGF1a (C20:4n6) 5280888 Lipid Mediators Newman 370.236 C20H34O6
5-HETE (C20:4n6) 5280733 Lipid Mediators Newman 320.235 C20H32O3
13-HOTE (C18:3n3) 10469728 Lipid Mediators Newman 294.219 C18H30O3
LEA (C18:2n6 ) 5283446 Lipid Mediators Newman 323.282 C20H37NO2
AEA (C20:4n6 ) 5281969 Lipid Mediators Newman 347.282 C22H37NO2
15,16-DiHODE (C18:3n3) 16061068 Lipid Mediators Newman 312.230 C18H32O4
11,12-DiHETrE (C20:4n6) 5283146 Lipid Mediators Newman 338.246 C20H34O4
9-KODE (C18:2n6) 9839084 Lipid Mediators Newman 294.219 C18H30O3
Cervonate; DHA (C22:6n3) 445580 Lipid Mediators Newman 328.240 C22H32O2
12-HEPE (C20:5n3) 10041593 Lipid Mediators Newman 318.219 C20H30O3
9,12,13-TriHOME (C18:2n6) 9858729 Lipid Mediators Newman 330.241 C18H34O5
5-KETE (C20:4n6) 5283159 Lipid Mediators Newman 318.219 C20H30O3
8-HETE (C20:4n6) 5283154 Lipid Mediators Newman 320.235 C20H32O3
20-HETE (C20:4n6) 5283157 Lipid Mediators Newman 320.235 C20H32O3
8,15-DiHETE (C20:4n6) 5312973 Lipid Mediators Newman 336.230 C20H32O4
9-HODE (C18:2n6) 5282945 Lipid Mediators Newman 296.235 C18H32O3
9,10,13-TriHOME (C18:2n6) 5282965 Lipid Mediators Newman 330.241 C18H34O5
RvD1 (C22:6n3) 16061135 Lipid Mediators Newman 376.225 C22H32O5
19(20)-EpDoPE (C22:6n3) 11631565 Lipid Mediators Newman 344.235 C22H32O3
SEA (C18:0) 27902 Lipid Mediators Newman 327.314 C20H41NO2
LTE4 (C20:4n6) 5280749 Lipid Mediators Newman 439.239 C23H37NO5S
Linoleate (C18:2n6) 5280450 Lipid Mediators Newman 280.240 C18H32O2
Laurate (C12:0) 3893 Lipid Mediators Newman 200.178 C12H24O2
PGB2 (C20:4n6) 5288144 Lipid Mediators Newman 334.214 C20H30O4
11,12,15 TriHETrE (C20:4n6) 11954043 Lipid Mediators Newman 354.241 C20H34O5
20-hydroxy-LTB4 (C20:4n6) 5280745 Lipid Mediators Newman 352.225 C20H32O5
PGF2a (C20:4n6) 5283078 Lipid Mediators Newman 354.241 C20H34O5
Stearate (C18:0) 5281 Lipid Mediators Newman 284.272 C18H36O2
9,10-DiHODE (C18:3n3) 16061066 Lipid Mediators Newman 312.230 C18H32O4
20-HETE EA (20-HETE ) 35027640 Lipid Mediators Newman 363.277 C22H37NO3
12(13)Ep-9-KODE (C18:2n6) 5283007 Lipid Mediators Newman 310.214 C18H30O4
2-AG (C20:4n6 ) 5282280 Lipid Mediators Newman 378.277 C23H38O4
12,13-DiHODE (C18:3n3) 16061067 Lipid Mediators Newman 312.230 C18H32O4
14(15)-EpETE (C20:5n3) 16061088 Lipid Mediators Newman 318.219 C20H30O3
9-HOTE (C18:3n3) 6439873 Lipid Mediators Newman 294.219 C18H30O3
1-OG (C18:1n9 ) 12178130 Lipid Mediators Newman 356.293 C21H40O4
Palmitoleate (C16:1n7) 5282745 Lipid Mediators Newman 254.225 C16H30O2
Palmitelaidate (C16:1n7t) 5282745 Lipid Mediators Newman 254.225 C16H30O2
Hepoxilin A3 (C20:4n6) 5460414 Lipid Mediators Newman 336.230 C20H32O4
17-HDoHE (C22:6n3) 6439179 Lipid Mediators Newman 344.235 C22H32O3
20-carboxy-LTB4 (C20:4n6) 5280877 Lipid Mediators Newman 366.204 C20H30O6
14,15-DiHETrE (C20:4n6) 5283147 Lipid Mediators Newman 338.246 C20H34O4
Myristate (C14:0) 11005 Lipid Mediators Newman 228.209 C14H28O2
δ 12-PGJ2 (C20:4n6) 5280885 Lipid Mediators Newman 334.214 C20H30O4
Adrenate (C22:4n6) 5282844 Lipid Mediators Newman 332.272 C22H36O2
DGLA EA (C20:3n6 ) 5282272 Lipid Mediators Newman 349.298 C22H39NO2
Mead acid (C20:3n9) 5312531 Lipid Mediators Newman 306.256 C20H34O2
2-OG (C18:1n9 ) 5319879 Lipid Mediators Newman 356.293 C21H40O4
PGJ2 (C20:4n6) 5280884 Lipid Mediators Newman 334.214 C20H30O4
Vaccenate (C18:1n7) 5281127 Lipid Mediators Newman 282.256 C18H34O2
5,15-DiHETE (C20:4n6) 5283158 Lipid Mediators Newman 336.230 C20H32O4
15-deoxy PGJ2 (C20:4n6) 5311211 Lipid Mediators Newman 316.204 C20H28O3
6-trans-LTB4 (C20:4n6) 5283128 Lipid Mediators Newman 336.230 C20H32O4
γ-Linolenate (C18:3n6) 5280933 Lipid Mediators Newman 278.225 C18H30O2
1-LG (C18:2n6 ) 6436630 Lipid Mediators Newman 354.277 C21H38O4
15-HEPE (C20:5n3) 5353282 Lipid Mediators Newman 318.219 C20H30O3
14(15)-EpETrE (C20:4n6) 11954058 Lipid Mediators Newman 336.230 C20H32O4
Pentadecanoate (C15:0) 13849 Lipid Mediators Newman 242.225 C15H30O2
PGF2a EA (PGF2a ) 5283076 Lipid Mediators Newman 397.283 C22H39NO5
9,10-DiHOME (C18:2n6) 9966640 Lipid Mediators Newman 314.246 C18H34O4
9(10)-EpOME (C18:2n6) 9966640 Lipid Mediators Newman 314.246 C18H34O4
PGE2 (C20:4n6) 5280360 Lipid Mediators Newman 352.225 C20H32O5
TXB2 (C20:4n6) 5283137 Lipid Mediators Newman 370.236 C20H34O6
17,18-DiHETE (C20:5n3) 16061120 Lipid Mediators Newman 336.230 C20H32O4
15-KETE (C20:4n6) 5280701 Lipid Mediators Newman 318.219 C20H30O3
NA-Gly (20:4n6 ) 5283389 Lipid Mediators Newman 361.262 C22H35NO3
Clupanodonate; DPA (C22:5n3) 5497182 Lipid Mediators Newman 330.256 C22H34O2
Arachidonate (C20:4n6) 444899 Lipid Mediators Newman 304.240 C20H32O2
12-HpETE (C20:4n6) 5280892 Lipid Mediators Newman 336.230 C20H32O4
12-HETE (C20:4n6) 5312983 Lipid Mediators Newman 320.235 C20H32O3
Oleate (C18:1n9) 445639 Lipid Mediators Newman 282.256 C18H34O2
PGD3 5282260 Oxylipin profiling Hammock 350.209 C20H30O5
Resolvin E1 10473088 Oxylipin profiling Hammock 350.209 C20H30O5
allopregnanolone 31402 Neurosteroids profiling Hammock 318.256 C21H34O2
16(17)-EpDPE 14392758 Oxylipin profiling Hammock 344.235 C22H32O3
PGD2 448457 Oxylipin profiling Hammock 352.225 C20H32O5
LTB5 5283125 Oxylipin profiling Hammock 334.214 C20H30O4
14,15-DiHETE 16061119 Oxylipin profiling Hammock 336.230 C20H32O4
PGE3 5280937 Oxylipin profiling Hammock 350.209 C20H30O5
12(13)-EpOME 5356421 Oxylipin profiling Hammock 296.235 C18H32O3
PGD1 5280936 Oxylipin profiling Hammock 354.241 C20H34O5
12,13-DiHOME 10236635 Oxylipin profiling Hammock 314.246 C18H34O4
3alpha,5alpha-tetrahydrodeoxycorticosterone 91475 Neurosteroids profiling Hammock 334.251 C21H34O3
8(9)-EpETrE alt 40490662 Oxylipin profiling Hammock 320.235 C20H32O3
8(9)-EpETrE 1901 Oxylipin profiling Hammock 320.235 C20H32O3
13(14)-EpDPE 11674605 Oxylipin profiling Hammock 344.235 C22H32O3
8,9-DiHETrE 5283144 Oxylipin profiling Hammock 338.246 C20H34O4
11,12-DiHETE 16061121 Oxylipin profiling Hammock 336.230 C20H32O4
7,8-DiHDPE 16061144 Oxylipin profiling Hammock 362.246 C22H34O4
9(10)-EpOME 6246154 Oxylipin profiling Hammock 296.235 C18H32O3
24R, 25-(OH)2D3 5283748 Vitamin D profiling Hammock 416.329 C27H44O3
19,20-DiHDPE 16061148 Oxylipin profiling Hammock 362.246 C22H34O4
5-HEPE 6439678 Oxylipin profiling Hammock 318.219 C20H30O3
11-HETE 5312981 Oxylipin profiling Hammock 320.235 C20H32O3
5,6-DiHETrE 5283142 Oxylipin profiling Hammock 338.246 C20H34O4
1α,25- (OH)2D3 5280453 Vitamin D profiling Hammock 416.329 C27H44O3
PGE1 5280723 Oxylipin profiling Hammock 354.241 C20H34O5
17(18)-EpETE 131367 Oxylipin profiling Hammock 318.219 C20H30O3
12-oxo-ETE 5283162 Oxylipin profiling Hammock 318.219 C20H30O3
15(16)-EpODE 16061062 Oxylipin profiling Hammock 294.219 C18H30O3
13-HODE 6443013 Oxylipin profiling Hammock 296.235 C18H32O3
15(S)-HETrE 5283145 Oxylipin profiling Hammock 322.251 C20H34O3
LXA4 5280914 Oxylipin profiling Hammock 352.225 C20H32O5
14(15)-EpETrE 1431 Oxylipin profiling Hammock 320.235 C20H32O3
13-oxo-ODE 6446027 Oxylipin profiling Hammock 294.219 C18H30O3
15-HETE 5280724 Oxylipin profiling Hammock 320.235 C20H32O3
9(10)-EpODE 16061060 Oxylipin profiling Hammock 294.219 C18H30O3
25-(OH)D3 5283731 Vitamin D profiling Hammock 400.334 C27H44O2
Cortisol 5754 Neurosteroids profiling Hammock 362.209 C21H30O5
9-HETE 5312978 Oxylipin profiling Hammock 320.235 C20H32O3
6-keto-PGF1a 5280888 Oxylipin profiling Hammock 370.236 C20H34O6
5-HETE 5280733 Oxylipin profiling Hammock 320.235 C20H32O3
25-(OH)D2 5710148 Vitamin D profiling Hammock 412.334 C28H44O2
13-HOTrE 16061072 Oxylipin profiling Hammock 294.219 C18H30O3
13,14-DiHDPE 16061146 Oxylipin profiling Hammock 362.246 C22H34O4
15,16-DiHODE 16061068 Oxylipin profiling Hammock 312.230 C18H32O4
11,12-DiHETrE 5283146 Oxylipin profiling Hammock 338.246 C20H34O4
9-oxo-ODE 9839084 Oxylipin profiling Hammock 294.219 C18H30O3
12-HEPE 10041593 Oxylipin profiling Hammock 318.219 C20H30O3
9,12,13-TriHOME 9858729 Oxylipin profiling Hammock 330.241 C18H34O5
5-oxo-ETE 5283159 Oxylipin profiling Hammock 318.219 C20H30O3
8-HETE 6438380 Oxylipin profiling Hammock 320.235 C20H32O3
LTB3 6439476 Oxylipin profiling Hammock 338.246 C20H34O4
20-HETE 5283157 Oxylipin profiling Hammock 320.235 C20H32O3
8,15-DiHETE 53480358 Oxylipin profiling Hammock 336.230 C20H32O4
9-HODE 5282945 Oxylipin profiling Hammock 296.235 C18H32O3
9,10,13-TriHOME 14968868 Oxylipin profiling Hammock 330.241 C18H34O5
8,9-DiHETE 16061118 Oxylipin profiling Hammock 336.230 C20H32O4
10,11-DiHDPE 16061145 Oxylipin profiling Hammock 362.246 C22H34O4
7(8)-EpDPE 11653103 Oxylipin profiling Hammock 344.235 C22H32O3
Corticosterone 5753 Neurosteroids profiling Hammock 346.214 C21H30O4
Pregnenolone 8955 Neurosteroids profiling Hammock 316.240 C21H32O2
19(20)-EpDPE 11631565 Oxylipin profiling Hammock 344.235 C22H32O3
Ganaxolone 38022 Neurosteroids profiling Hammock 332.272 C22H36O2
Aldosterone 5839 Neurosteroids profiling Hammock 360.194 C21H28O5
PGB2 5280881 Oxylipin profiling Hammock 334.214 C20H30O4
20-OH-LTB4 5280745 Oxylipin profiling Hammock 352.225 C20H32O5
PGF2a 20849107 Oxylipin profiling Hammock 354.241 C20H34O5
11(12)-EpETE 53394022 Oxylipin profiling Hammock 318.219 C20H30O3
9,10-DiHODE 16061066 Oxylipin profiling Hammock 312.230 C18H32O4
EKODE 53394018 Oxylipin profiling Hammock 310.214 C18H30O4
12,13-DiHODE 16061067 Oxylipin profiling Hammock 312.230 C18H32O4
14(15)-EpETE 53394073 Oxylipin profiling Hammock 318.219 C20H30O3
9-HOTrE 6439873 Oxylipin profiling Hammock 294.219 C18H30O3
Progesterone 5994 Neurosteroids profiling Hammock 314.225 C21H30O2
17-HDoHE 6439179 Oxylipin profiling Hammock 344.235 C22H32O3
20-COOH-LTB4 5280877 Oxylipin profiling Hammock 366.204 C20H30O6
14,15-DiHETrE 5283147 Oxylipin profiling Hammock 338.246 C20H34O4
PGJ2 5280884 Oxylipin profiling Hammock 334.214 C20H30O4
5,15-DiHETE 5283158 Oxylipin profiling Hammock 336.230 C20H32O4
5(6)-EpETrE 1778 Oxylipin profiling Hammock 320.235 C20H32O3
15-deoxy-PGJ2 5311211 Oxylipin profiling Hammock 316.204 C20H28O3
LTB4 5280492 Oxylipin profiling Hammock 336.230 C20H32O4
d4-LTB4 16061113 Oxylipin profiling Hammock 336.230 C20H32O4
6-trans-LTB4 5283128 Oxylipin profiling Hammock 336.230 C20H32O4
THF diol 8064 Oxylipin profiling Hammock 90.068 C4H10O2
Deoxycortisol 440707 Neurosteroids profiling Hammock 346.214 C21H30O4
15-HEPE 5353282 Oxylipin profiling Hammock 318.219 C20H30O3
8-HEPE 53394250 Oxylipin profiling Hammock 318.219 C20H30O3
9,10-DiHOME 9966640 Oxylipin profiling Hammock 314.246 C18H34O4
PGE2 5280360 Oxylipin profiling Hammock 352.225 C20H32O5
d4-PGE2 5283031 Oxylipin profiling Hammock 352.225 C20H32O5
TXB2 5283137 Oxylipin profiling Hammock 370.236 C20H34O6
d4-TXB2 16061116 Oxylipin profiling Hammock 370.236 C20H34O6
17,18-DiHETE 16061120 Oxylipin profiling Hammock 336.230 C20H32O4
15-oxo-ETE 5280701 Oxylipin profiling Hammock 318.219 C20H30O3
8(9)-EpETE 53394044 Oxylipin profiling Hammock 318.219 C20H30O3
16,17-DiHDPE 16061147 Oxylipin profiling Hammock 362.246 C22H34O4
10(11)-EpDPE 11638767 Oxylipin profiling Hammock 344.235 C22H32O3
1α, 25-(OH)2D2 6437855 Vitamin D profiling Hammock 428.329 C28H44O3
12-HETE 5312983 Oxylipin profiling Hammock 320.235 C20H32O3
11,12-,15-TriHETrE 11954042 Oxylipin profiling Hammock    
5,6-DiHETE na Oxylipin profiling Hammock   (chemspider 4444132)
4,5-DiHDPE na Oxylipin profiling Hammock    
12(13)-EpODE na Oxylipin profiling Hammock    
11(12)-EpETrE na Oxylipin profiling Hammock    
d4-6-keto-PGF1a na Oxylipin profiling Hammock    
d11-14,15-DiHETrE na Oxylipin profiling Hammock    
d6-20-HETE na Oxylipin profiling Hammock    
d4-9-HODE na Oxylipin profiling Hammock    
d8-12-HETE na Oxylipin profiling Hammock    
d8-5-HETE na Oxylipin profiling Hammock    
d11-11(12)-EpETrE na Oxylipin profiling Hammock    
d4-9(10)-EpOME na Oxylipin profiling Hammock    
d8-AA na Oxylipin profiling Hammock    
Androstenedione 6432604 Steroid profiling Gaikwad 286.193 C19H26O2
4-hydroxy-estradiol-2-glutatione NA Steroid profiling Gaikwad    
4-methoxy-estradiol 68578 Steroid profiling Gaikwad 302.188 C19H26O3
2-hydroxy-estrone-1-N-acetylcysteine NA Steroid profiling Gaikwad    
2-methoxy-estradiol 66414 Steroid profiling Gaikwad 302.188 C19H26O3
2-hydroxy-estrone-1-glutatione NA Steroid profiling Gaikwad    
2-hydroxy-estradiol 16219475 Steroid profiling Gaikwad 288.173 C18H24O3
Estrone 6710658 Steroid profiling Gaikwad 270.162 C18H22O2
4-hydroxy-estradiol-1-N-7-guanine NA Steroid profiling Gaikwad    
2-hydroxy-estrone-6-N-3-adenine NA Steroid profiling Gaikwad    
2-hydroxy-estradiol-4-N-acetylcysteine NA Steroid profiling Gaikwad    
Estrone-Sulfate 10861069 Steroid profiling Gaikwad 350.119 C18H22O5S
4-hydroxy-estradiol-2-N-acetylcysteine NA Steroid profiling Gaikwad    
4-hydroxy-estrone-2-cysteine NA Steroid profiling Gaikwad    
4-hydroxy-estrone-1-N-7-guanine 9889189 Steroid profiling Gaikwad 435.191 C23H25N5O4
4-hydroxy-estrone-1-N-3-adenine NA Steroid profiling Gaikwad    
4-hydroxy-estradiol-1-N-3-adenine NA Steroid profiling Gaikwad    
2-OH-3-methoxy-estradiol NA Steroid profiling Gaikwad    
Testosterone 19615208 Steroid profiling Gaikwad 288.209 C19H28O2
16α-hydroxy-estradiol 16757678 Steroid profiling Gaikwad 288.173 C18H24O3
4-methoxy-estrone 168393 Steroid profiling Gaikwad 357.194 C8H8.C7H12O2.C3H3N.C3H4O2
4-hydroxy-estradiol 49823447 Steroid profiling Gaikwad 288.173 C18H24O3
2-hydroxy-estradiol-1-glutatione 10257895 Steroid profiling Gaikwad 593.241 C28H39N3O9S
2-hydroxy-estradiol-6-N-3-adenine NA Steroid profiling Gaikwad    
2-hydroxy-estrone 54328033 Steroid profiling Gaikwad 286.157 C18H22O3
4-hydroxy-estradiol-2-cysteine NA Steroid profiling Gaikwad    
4-hydroxy-estrone-2-glutatione NA Steroid profiling Gaikwad    
2-hydroxy-estradiol-1+4-cysteine NA Steroid profiling Gaikwad    
2-hydroxy-estrone-1-cysteine NA Steroid profiling Gaikwad    
2-hydroxy-estradiol-4-glutatione 10393673 Steroid profiling Gaikwad 593.241 C28H39N3O9S
Estradiol 43912931 Steroid profiling Gaikwad 272.178 C18H24O2
2-methoxy-estrone 9686 Steroid profiling Gaikwad 300.173 C19H24O3
4-hydroxy-estrone-2-N-acetylcysteine NA Steroid profiling Gaikwad    
16α-hydroxy-estrone 115116 Steroid profiling Gaikwad 286.157 C18H22O3
2-hydroxy-estrone-4-cysteine NA Steroid profiling Gaikwad    
4-hydroxy-estrone 9971251 Steroid profiling Gaikwad 286.157 C18H22O3
2-OH-3-methoxy-estrone 13831793 Steroid profiling Gaikwad 300.173 C19H24O3
2-hydroxy-estrone-4-N-acetylcysteine NA Steroid profiling Gaikwad    
2-hydroxy-estradiol-1-N-acetylcysteine NA Steroid profiling Gaikwad    
2-hydroxy-estrone-4-glutatione NA Steroid profiling Gaikwad    
quinic acid 6508 Primary Metabolites Fiehn 192.063 C7H12O6
benzyl thiocyanate 18170 Primary Metabolites Fiehn 149.030 C8H7NS
5-Dihydrocortisol 164838 Primary Metabolites Fiehn 364.225 C21H32O5
α-D-glucosamine phosphate 121988 Primary Metabolites Fiehn 259.046 C6H14NO8P
4-androsten-3,17-dione 6128 Primary Metabolites Fiehn 286.193 C19H26O2
glycolic acid 757 Primary Metabolites Fiehn 76.016 C2H4O3
phytosphingosine 122121 Primary Metabolites Fiehn 317.293 C18H39NO3
N-methylaniline 7515 Primary Metabolites Fiehn 107.073 C7H9N
2-hydroxybutyric acid 11266 Primary Metabolites Fiehn 104.047 C4H8O3
2-hydroxybutanoic acid 440864 Primary Metabolites Fiehn 104.047 C4H8O3
acenaphthenequinone 6724 Primary Metabolites Fiehn 182.037 C12H6O2
(R)-(+)-1,2-dithiolane-3-pentanoic acid (lipoic acid) 6112 Primary Metabolites Fiehn 206.044 C8H14O2S2
L-Isoleucine 6306 Primary Metabolites Fiehn 131.095 C6H13NO2
3-aminopropionitrile 1647 Primary Metabolites Fiehn 70.053 C3H6N2
L-ornithine 6262 Primary Metabolites Fiehn 132.090 C5H12N2O2
hesperetin 3593 Primary Metabolites Fiehn 302.079 C16H14O6
3-hydroxypropanoic acid 68152 Primary Metabolites Fiehn 90.032 C3H6O3
4-aminobenzoic acid (p-Aminobenzoic acid) 978 Primary Metabolites Fiehn 137.048 C7H7NO2
loganin 16212335 Primary Metabolites Fiehn 390.153 C17H26O10
2-METHYLGLUTARIC ACID 12046 Primary Metabolites Fiehn 146.058 C6H10O4
neohesperidin 442439 Primary Metabolites Fiehn 610.190 C28H34O15
Tricetin 5281701 Primary Metabolites Fiehn 302.043 C15H10O7
2-Deoxyerythritol 18302 Primary Metabolites Fiehn 106.063 C4H10O3
phosphoglycolic acid 529 Primary Metabolites Fiehn 155.982 C2H5O6P
Acylcarnitine C18:1 53477789 Complex lipids Fiehn 425.351 C25H47NO4
LysoPC(16:0) 460602 Complex lipids Fiehn 495.332 C24H50NO7P
beta-Hydroxymyristic acid 16064 Primary Metabolites Fiehn 244.204 C14H28O3
3beta-Hydroxy-5beta-pregnane-20-one 228491 Primary Metabolites Fiehn 318.256 C21H34O2
5β-PREGNAN-3β-OL-20-ONE 31402 Primary Metabolites Fiehn 318.256 C21H34O2
hydroxylamine 787 Primary Metabolites Fiehn 33.021 H3NO
D-(glycerol 1-phosphate) 439162 Primary Metabolites Fiehn 172.014 C3H9O6P
glycerol 1-phosphate 754 Primary Metabolites Fiehn 172.014 C3H9O6P
L-alpha-Glycerophophate 439276 Primary Metabolites Fiehn 172.014 C3H9O6P
L-threonine 6288 Primary Metabolites Fiehn 119.058 C4H9NO3
L-allothreonine 99289 Primary Metabolites Fiehn 119.058 C4H9NO3
threonine 205 Primary Metabolites Fiehn 119.058 C4H9NO3
4-hydroxybenzyl cyanide 26548 Primary Metabolites Fiehn 133.053 C8H7NO
Gentiobiose 92807 Primary Metabolites Fiehn 342.116 C12H22O11
p-benzoquinone 4650 Primary Metabolites Fiehn 108.021 C6H4O2
β-glutamic acid 73064 Primary Metabolites Fiehn 147.053 C5H9NO4
2-Monopalmitin 123409 Primary Metabolites Fiehn 330.277 C19H38O4
3-methyloxyindole (3-Methyl-2-oxindole) 150923 Primary Metabolites Fiehn 147.068 C9H9NO
azelaic acid 2266 Primary Metabolites Fiehn 188.105 C9H16O4
5-methoxypsoralen 2355 Primary Metabolites Fiehn 216.042 C12H8O4
phenylethylamine 1001 Primary Metabolites Fiehn 121.089 C8H11N
cholic acid 221493 Primary Metabolites Fiehn 408.288 C24H40O5
5-Hydroxyindole-2-carboxylic acid 88958 Primary Metabolites Fiehn 177.043 C9H7NO3
6-phosphogluconic acid 91493 Primary Metabolites Fiehn 276.025 C6H13O10P
triacontanoic acid methyl ester 12400 Primary Metabolites Fiehn 466.475 C31H62O2
cis-11-Eicosenoic acid 5282768 Primary Metabolites Fiehn 310.287 C20H38O2
3-hydroxy-L-proline 440575 Primary Metabolites Fiehn 131.058 C5H9NO3
L-Malic acid 222656 Primary Metabolites Fiehn 134.022 C4H6O5
D-malic acid 92824 Primary Metabolites Fiehn 134.022 C4H6O5
sorbose 6904 Primary Metabolites Fiehn 180.063 C6H12O6
D-tagatose 92092 Primary Metabolites Fiehn 180.063 C6H12O6
L- sorbose (D-Psicose) 1101 Primary Metabolites Fiehn 180.063 C6H12O6
fructose 5984 Primary Metabolites Fiehn 180.063 C6H12O6
dioctyl phthalate 8343 Primary Metabolites Fiehn 390.277 C24H38O4
arbutin 440936 Primary Metabolites Fiehn 272.090 C12H16O7
2-ketoisocaproic acid (alpha-ketoisocaproate) 70 Primary Metabolites Fiehn 130.063 C6H10O3
4-methyl-5-thiazoleethanol 1136 Primary Metabolites Fiehn 143.040 C6H9NOS
6-hydroxynicotinic acid 72924 Primary Metabolites Fiehn 139.027 C6H5NO3
phytol (cis-Phytol) 6430833 Primary Metabolites Fiehn 296.308 C20H40O
isopropyl β-D-1-thiogalactopyranoside 656894 Primary Metabolites Fiehn 238.087 C9H18O5S
glycocyamine (Guanidoacetic acid) 763 Primary Metabolites Fiehn 117.054 C3H7N3O2
aspirin (O-acetylsalicylic acid) 2244 Primary Metabolites Fiehn 180.042 C9H8O4
4-aminobutyric acid (L-A-Amino-N-butyric acid) 119 Primary Metabolites Fiehn 103.063 C4H9NO2
4-nitrophenol 980 Primary Metabolites Fiehn 139.027 C6H5NO3
1-HYDROXYANTHRAQUINONE 8512 Primary Metabolites Fiehn 224.047 C14H8O3
phenylpyruvate 997 Primary Metabolites Fiehn 164.047 C9H8O3
TES 446188 Primary Metabolites Fiehn 290.225 C19H30O2
3-Cyanoalanine 13538 Primary Metabolites Fiehn 114.043 C4H6N2O2
β-cyano-L-alanine 439742 Primary Metabolites Fiehn 114.043 C4H6N2O2
1-Hexadecanol 2682 Primary Metabolites Fiehn 242.261 C16H34O
N,N-dimethyl-1,4-phenylenediamine 7472 Primary Metabolites Fiehn 136.100 C8H12N2
O-phospho-L-serine (O-Phosphoserine) 68841 Primary Metabolites Fiehn 185.009 C3H8NO6P
METHYL PHOSPHATE 13130 Primary Metabolites Fiehn 111.993 CH5O4P
lanosterol 246983 Primary Metabolites Fiehn 426.386 C30H50O
Androstanediol 32801 Primary Metabolites Fiehn 292.240 C19H32O2
N-acetyl-L-phenylalanine 74839 Primary Metabolites Fiehn 207.090 C11H13NO3
3-Hydroxypalmitic acid 301590 Primary Metabolites Fiehn 272.235 C16H32O3
methyl cinnamate 637520 Primary Metabolites Fiehn 162.068 C10H10O2
allo-inositol (myo-inositol)(muco-Inositol) 892 Primary Metabolites Fiehn 180.063 C6H12O6
2-aminophenol 5801 Primary Metabolites Fiehn 109.053 C6H7NO
trans-3,5-dimethoxy-4-hydroxycinnamaldehyde 5280802 Primary Metabolites Fiehn 208.074 C11H12O4
piceatannol 667639 Primary Metabolites Fiehn 244.074 C14H12O4
3,4-dihydroxyphenylacetic acid 547 Primary Metabolites Fiehn 168.042 C8H8O4
DL-4-hydroxy-3-methoxymandelic acid (Vanillylmandelic acid) 1245 Primary Metabolites Fiehn 198.053 C9H10O5
Zymosterol 92746 Primary Metabolites Fiehn 384.339 C27H44O
3-(2-hydroxyphenyl)propanoic acid 873 Primary Metabolites Fiehn 166.063 C9H10O3
N-benzyloxycarbonylglycine (Carbobenzyloxyglycine) 14349 Primary Metabolites Fiehn 209.069 C10H11NO4
hexachlorobenzene 8370 Primary Metabolites Fiehn 281.813 C6Cl6
aspartic acid 5960 Primary Metabolites Fiehn 133.038 C4H7NO4
D-Aspartic acid 424 Primary Metabolites Fiehn 133.038 C4H7NO4
4-isopropylbenzoic acid (CUMIC ACID) 10820 Primary Metabolites Fiehn 164.084 C10H12O2
2,5-dihydroxybenzaldehyde 70949 Primary Metabolites Fiehn 138.032 C7H6O3
phenylphosphoric acid 12793 Primary Metabolites Fiehn 174.008 C6H7O4P
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) 52924862 Complex lipids Fiehn 763.515 C43H74NO8P
5-methoxy-3-indoleacetic acid 18986 Primary Metabolites Fiehn 205.074 C11H11NO3
phenylalanine 994 Primary Metabolites Fiehn 165.079 C9H11NO2
phlorobenzophenone (2,4,6-Trihydroxybenzophenone) 77093 Primary Metabolites Fiehn 230.058 C13H10O4
PC(P-16:0/18:1(9Z)) 24779384 Complex lipids Fiehn 743.583 C42H82NO7P
farnesol 1549107 Primary Metabolites Fiehn 222.198 C15H26O
trans-trans-farnesol 445070 Primary Metabolites Fiehn 222.198 C15H26O
D-(+)-Ribonic acid gamma-lactone 111064 Primary Metabolites Fiehn 148.037 C5H8O5
Creatine 586 Complex lipids Fiehn 131.069 C4H9N3O2
chlorogenic acid 6537496 Primary Metabolites Fiehn 354.095 C16H18O9
taxifolin 439533 Primary Metabolites Fiehn 304.058 C15H12O7
(+/-)-Taxifolin 471 Primary Metabolites Fiehn 304.058 C15H12O7
N-methyltryptophan 914 Primary Metabolites Fiehn 218.106 C12H14N2O2
N-2-fluorenylacetamide 5897 Primary Metabolites Fiehn 223.100 C15H13NO
sucrose 5988 Primary Metabolites Fiehn 342.116 C12H22O11
hexadecane 11006 Primary Metabolites Fiehn 226.266 C16H34
L-asparagine 236 Primary Metabolites Fiehn 132.053 C4H8N2O3
1,4-Cyclohexanedione 12511 Primary Metabolites Fiehn 112.052 C6H8O2
creatinine 588 Primary Metabolites Fiehn 113.059 C4H7N3O
beta-Mannosylglycerate 5460194 Primary Metabolites Fiehn 268.079 C9H16O9
Ala-Ala 5484352 Primary Metabolites Fiehn 160.085 C6H12N2O3
D-Ala-D-Ala 601 Primary Metabolites Fiehn 160.085 C6H12N2O3
nicotinamide (Nicotinacid-amide) 936 Primary Metabolites Fiehn 122.048 C6H6N2O
Acylcarnitine C18:3 53477821 Complex lipids Fiehn 421.319 C25H43NO4
β-glycerolphosphate (beta-Glycerophosphoric acid) 2526 Primary Metabolites Fiehn 172.014 C3H9O6P
glycine-d5 deuterated 2723970 Primary Metabolites Fiehn 75.032 C2H5NO2
glycine 750 Primary Metabolites Fiehn 75.032 C2H5NO2
mono(2-ethylhexyl)phthalate 20393 Primary Metabolites Fiehn 278.152 C16H22O4
4-hydroxy-3-methoxycinnamaldehyde 5280536 Primary Metabolites Fiehn 178.063 C10H10O3
2-Butyne-1,4-diol 8066 Primary Metabolites Fiehn 86.037 C4H6O2
prunin 92794 Primary Metabolites Fiehn 434.121 C21H22O10
melibiose 440658 Primary Metabolites Fiehn 342.116 C12H22O11
isomaltose 439193 Primary Metabolites Fiehn 342.116 C12H22O11
Melibiose 11458 Primary Metabolites Fiehn 342.116 C12H22O11
3-indoleacetonitrile 351795 Primary Metabolites Fiehn 156.069 C10H8N2
ergosterol 444679 Primary Metabolites Fiehn 396.339 C28H44O
estrone 5870 Primary Metabolites Fiehn 270.162 C18H22O2
PC(20:4(5Z,8Z,11Z,14Z)/18:0) 52923291 Complex lipids Fiehn 809.593 C46H84NO8P
PE(18:2(9Z,12Z)/18:1(9Z)) 52924364 Complex lipids Fiehn 741.531 C41H76NO8P
melatonin 896 Primary Metabolites Fiehn 232.121 C13H16N2O2
uridine 6029 Primary Metabolites Fiehn 244.070 C9H12N2O6
D-saccharic acid 33037 Primary Metabolites Fiehn 210.038 C6H10O8
N-epsilon-Acetyl-L-lysine 92832 Primary Metabolites Fiehn 188.116 C8H16N2O3
linolenic acid 5280934 Primary Metabolites Fiehn 278.225 C18H30O2
phenylacetaldehyde 998 Primary Metabolites Fiehn 120.058 C8H8O
PE(20:4(5Z,8Z,11Z,14Z)/16:0) 52924875 Complex lipids Fiehn 739.515 C41H74NO8P
5-hydroxyindole-3-acetic acid 1826 Primary Metabolites Fiehn 191.058 C10H9NO3
5-Aminoimidazole-4-carboxamide 9679 Primary Metabolites Fiehn 126.054 C4H6N4O
PE(18:1(9Z)/16:0) 9546802 Complex lipids Fiehn 717.531 C39H76NO8P
Leucrose 165577 Primary Metabolites Fiehn 342.116 C12H22O11
4,2',4'-trihydroxychalcone 638278 Primary Metabolites Fiehn 256.074 C15H12O4
cycloserine 401 Primary Metabolites Fiehn 102.043 C3H6N2O2
2-Carboxybenzaldehyde 8406 Primary Metabolites Fiehn 150.032 C8H6O3
2-Deoxytetronic acid 150929 Primary Metabolites Fiehn 120.042 C4H8O4
tyramine 5610 Primary Metabolites Fiehn 137.084 C8H11NO
9-phenanthrenol 10229 Primary Metabolites Fiehn 194.073 C14H10O
N-acetyl-D-tryptophan 439917 Primary Metabolites Fiehn 246.100 C13H14N2O3
benzoylformic acid 11915 Primary Metabolites Fiehn 150.032 C8H6O3
D-sorbitol 5780 Primary Metabolites Fiehn 182.079 C6H14O6
D-mannitol 6251 Primary Metabolites Fiehn 182.079 C6H14O6
Pelargonic acid 8158 Primary Metabolites Fiehn 158.131 C9H18O2
lipoamide (Thioctamide) 863 Primary Metabolites Fiehn 205.060 C8H15NOS2
hypoxanthine 790 Primary Metabolites Fiehn 136.039 C5H4N4O
tartaric acid 444305 Primary Metabolites Fiehn 150.016 C4H6O6
D,L-Tartaric acid 875 Primary Metabolites Fiehn 150.016 C4H6O6
L-methionine 6137 Primary Metabolites Fiehn 149.051 C5H11NO2S
methionine 876 Primary Metabolites Fiehn 149.051 C5H11NO2S
2-ketoadipate 71 Primary Metabolites Fiehn 160.037 C6H8O5
PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) 42607458 Complex lipids Fiehn 775.552 C45H78NO7P
4-hydroxybenzoic acid 135 Primary Metabolites Fiehn 138.032 C7H6O3
PE(20:4(5Z,8Z,11Z,14Z)/18:0) 52924644 Complex lipids Fiehn 767.547 C43H78NO8P
hexadecanoic acid methyl ester (methyl hexadecanoate) 8181 Primary Metabolites Fiehn 270.256 C17H34O2
Dehydroepiandrosterone 76 Primary Metabolites Fiehn 288.209 C19H28O2
trans-dehydroandrosterone 5881 Primary Metabolites Fiehn 288.209 C19H28O2
Acylcarnitine C18:0 52922056 Complex lipids Fiehn 427.366 C25H49NO4
ribulose-5-phosphate 439184 Primary Metabolites Fiehn 230.019 C5H11O8P
L-canavanine 275 Primary Metabolites Fiehn 176.091 C5H12N4O3
Maleamate 11187 Primary Metabolites Fiehn 115.027 C4H5NO3
maleamic acid 5280451 Primary Metabolites Fiehn 115.027 C4H5NO3
sarcosine 1088 Primary Metabolites Fiehn 89.048 C3H7NO2
naringenin 439246 Primary Metabolites Fiehn 272.068 C15H12O5
4-vinylphenol 62453 Primary Metabolites Fiehn 120.058 C8H8O
Acylcarnitine C12:0 168381 Complex lipids Fiehn 343.272 C19H37NO4
liquiritigenin (4',7-dihyroxyflavanone) 1889 Primary Metabolites Fiehn 256.074 C15H12O4
3-hydroxyphenylacetic acid 12122 Primary Metabolites Fiehn 152.047 C8H8O3
PE(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) 52924844 Complex lipids Fiehn 789.531 C45H76NO8P
O-methylthreonine 222906 Primary Metabolites Fiehn 133.074 C5H11NO3
maltotriose 192826 Primary Metabolites Fiehn 504.169 C18H32O16
acetanilide 904 Primary Metabolites Fiehn 135.068 C8H9NO
S-carboxymethylcysteine 193653 Primary Metabolites Fiehn 179.025 C5H9NO4S
4-hydroxypyridine 12290 Primary Metabolites Fiehn 95.037 C5H5NO
N-Methyl-DL-alanine 4377 Primary Metabolites Fiehn 103.063 C4H9NO2
Methyl jasmonate (methyljasmonate) 62388 Primary Metabolites Fiehn 224.141 C13H20O3
adenine 190 Primary Metabolites Fiehn 135.054 C5H5N5
1-Methyladenosine 16219662 Primary Metabolites Fiehn 281.112 C11H15N5O4
benzene-1,2,4-triol 10787 Primary Metabolites Fiehn 126.032 C6H6O3
2,3-DIHYDROXYPYRIDINE 28115 Primary Metabolites Fiehn 111.032 C5H5NO2
resorcinol 5054 Primary Metabolites Fiehn 110.037 C6H6O2
pantothenic acid 6613 Primary Metabolites Fiehn 219.111 C9H17NO5
capric acid 2969 Primary Metabolites Fiehn 172.146 C10H20O2
quinolinic acid (Pyridine-2,3-dicarboxylic acid) 1066 Primary Metabolites Fiehn 167.022 C7H5NO4
Octadecanol 8221 Primary Metabolites Fiehn 270.292 C18H38O
2,3-dihydroxybenzoic acid 19 Primary Metabolites Fiehn 154.027 C7H6O4
isoxanthopterin 10729 Primary Metabolites Fiehn 179.044 C6H5N5O2
geraniol 637566 Primary Metabolites Fiehn 154.136 C10H18O
2,6-Diaminopimelic acid 865 Primary Metabolites Fiehn 190.095 C7H14N2O4
O-succinylhomoserine 439406 Primary Metabolites Fiehn 219.074 C8H13NO6
1,2-Didecanoylglycerol 1321 Primary Metabolites Fiehn 400.319 C23H44O5
2,2-DIMETHYLSUCCINIC ACID 11701 Primary Metabolites Fiehn 146.058 C6H10O4
Diglycerol 42953 Primary Metabolites Fiehn 166.084 C6H14O5
PC(16:1(9Z)/16:1(9Z)) 24778764 Complex lipids Fiehn 729.531 C40H76NO8P
3-HYDROXYPYRIDINE 7971 Primary Metabolites Fiehn 95.037 C5H5NO
inosine 5'-monophosphate 8582 Primary Metabolites Fiehn 348.047 C10H13N4O8P
D-Fructose 6-phosphate 69507 Primary Metabolites Fiehn 260.030 C6H13O9P
benzylsuccinic acid (DL-Benzylsuccinic acid) 3858 Primary Metabolites Fiehn 208.074 C11H12O4
trans-aconitic acid 444212 Primary Metabolites Fiehn 174.016 C6H6O6
cellobiose 10712 Primary Metabolites Fiehn 342.116 C12H22O11
maltose 6255 Primary Metabolites Fiehn 342.116 C12H22O11
lactose 84571 Primary Metabolites Fiehn 342.116 C12H22O11
alpha tocopherol 14985 Primary Metabolites Fiehn 430.381 C29H50O2
adipamide 12364 Primary Metabolites Fiehn 144.090 C6H12N2O2
thymidine 5'-monophosphate 9700 Primary Metabolites Fiehn 322.057 C10H15N2O8P
D (+)altrose 94780 Primary Metabolites Fiehn 180.063 C6H12O6
D-allose (allose) 102288 Primary Metabolites Fiehn 180.063 C6H12O6
D-(+)-Glucose 107526 Primary Metabolites Fiehn 180.063 C6H12O6
aldohexose (generic) 24749 Primary Metabolites Fiehn 180.063 C6H12O6
N-ethylmaleamic acid 5369191 Primary Metabolites Fiehn 143.058 C6H9NO3
cyclohexylsulfamic acid 7533 Primary Metabolites Fiehn 179.062 C6H13NO3S
cis-4-hydroxycyclohexanecarboxylic acid 151138 Primary Metabolites Fiehn 144.079 C7H12O3
stigmasterol 5280794 Primary Metabolites Fiehn 412.371 C29H48O
4-hydroxyquinoline-2-carboxylic acid (kynurenic acid) 3845 Primary Metabolites Fiehn 189.043 C10H7NO3
D-(+) trehalose (α,α-Trehalose) 7427 Primary Metabolites Fiehn 342.116 C12H22O11
xylitol 6912 Primary Metabolites Fiehn 152.068 C5H12O5
D-arabitol 94154 Primary Metabolites Fiehn 152.068 C5H12O5
ribitol (Adonitol) 827 Primary Metabolites Fiehn 152.068 C5H12O5
beta-hydroxypyruvate (3-hydroxypyruvate) 964 Primary Metabolites Fiehn 104.011 C3H4O4
1,3-Cyclohexanedione 10434 Primary Metabolites Fiehn 112.052 C6H8O2
formononetin 5280378 Primary Metabolites Fiehn 268.074 C16H12O4
carbamoyl-aspartate 279 Primary Metabolites Fiehn 176.043 C5H8N2O5
L-histidine 6274 Primary Metabolites Fiehn 155.069 C6H9N3O2
citraconic acid 643798 Primary Metabolites Fiehn 130.027 C5H6O4
2-methylfumarate (mesaconate) 638129 Primary Metabolites Fiehn 130.027 C5H6O4
4-hydroxymandelonitrile 166768 Primary Metabolites Fiehn 149.048 C8H7NO2
3,5-dihydroxyphenylglycine (1α-2S-Dihydroxy Phenylglycine) 443586 Primary Metabolites Fiehn 183.053 C8H9NO4
Acylcarnitine C24:1 n/a Complex lipids Fiehn    
4-methylumbelliferone 5280567 Primary Metabolites Fiehn 176.047 C10H8O3
Sedoheptulose 5459879 Primary Metabolites Fiehn 210.074 C7H14O7
methyl heptadecanoate 15609 Primary Metabolites Fiehn 284.272 C18H36O2
3-hydroxyflavone 11349 Primary Metabolites Fiehn 238.063 C15H10O3
5-Cholesten-3-beta-ol = Cholesterol 5997 Primary Metabolites Fiehn 386.355 C27H46O
cholestrol d6 16213400 Primary Metabolites Fiehn 386.355 C27H46O
cholesterol 304 Primary Metabolites Fiehn 386.355 C27H46O
4-pyridoxic acid 6723 Primary Metabolites Fiehn 183.053 C8H9NO4
Pipecolinic acid 849 Primary Metabolites Fiehn 129.079 C6H11NO2
pipecolic acid 439227 Primary Metabolites Fiehn 129.079 C6H11NO2
albendazole 2082 Primary Metabolites Fiehn 265.088 C12H15N3O2S
α-D-Glucose 1-phosphate 439165 Primary Metabolites Fiehn 260.030 C6H13O9P
Glucose-1-phosphate 65533 Primary Metabolites Fiehn 260.030 C6H13O9P
Ethanolamine 700 Primary Metabolites Fiehn 61.053 C2H7NO
D-galacturonic acid 84740 Primary Metabolites Fiehn 194.043 C6H10O7
3-hydroxybenzaldehyde 101 Primary Metabolites Fiehn 122.037 C7H6O2
cytidine-5'-monophosphate 6131 Primary Metabolites Fiehn 323.052 C9H14N3O8P
homogentisic acid 780 Primary Metabolites Fiehn 168.042 C8H8O4
Digalacturonic acid 439694 Primary Metabolites Fiehn 370.075 C12H18O13
LysoPC(18:0) 497299 Complex lipids Fiehn 523.364 C26H54NO7P
3-hydroxybenzoic acid 7420 Primary Metabolites Fiehn 138.032 C7H6O3
nonanoic acid methyl ester (Methyl pelargonate) 15606 Primary Metabolites Fiehn 172.146 C10H20O2
3-isochromanone 78092 Primary Metabolites Fiehn 148.052 C9H8O2
N,N-dimethyl-L-histidine (N(alpha),N(alpha)-dimethyl-L-histidine) 440274 Primary Metabolites Fiehn 183.101 C8H13N3O2
PC(P-16:0/20:4(5Z,8Z,11Z,14Z)) 24779388 Complex lipids Fiehn 765.567 C44H80NO7P
palmitic acid 985 Primary Metabolites Fiehn 256.240 C16H32O2
PC(16:1(9Z)/16:0) 52922440 Complex lipids Fiehn 731.547 C40H78NO8P
thymidine 5789 Primary Metabolites Fiehn 242.090 C10H14N2O5
uracil 1174 Primary Metabolites Fiehn 112.027 C4H4N2O2
benzoin 8400 Primary Metabolites Fiehn 212.084 C14H12O2
(-)-Adenosine 3',5'-cyclic monophosphate 6076 Primary Metabolites Fiehn 329.053 C10H12N5O6P
p-cresol 2879 Primary Metabolites Fiehn 108.058 C7H8O
6-hydroxy caproic acid 14490 Primary Metabolites Fiehn 132.079 C6H12O3
2-hydroxy-2-phenylacetic acid (Mandelic acid) 1292 Primary Metabolites Fiehn 152.047 C8H8O3
mandelic acid 439616 Primary Metabolites Fiehn 152.047 C8H8O3
methyl palmitoleate 643801 Primary Metabolites Fiehn 268.240 C17H32O2
tropic acid 643328 Primary Metabolites Fiehn 166.063 C9H10O3
ε-caprolactam 7768 Primary Metabolites Fiehn 113.084 C6H11NO
lactulose 11333 Primary Metabolites Fiehn 342.116 C12H22O11
methyl yellow 6053 Primary Metabolites Fiehn 225.127 C14H15N3
GLUTARIC ACID (Glutarate) 743 Primary Metabolites Fiehn 132.042 C5H8O4
methyl octanoate (octanoic acid methyl ester) 8091 Primary Metabolites Fiehn 158.131 C9H18O2
Aminomalonic acid 100714 Primary Metabolites Fiehn 119.022 C3H5NO4
3-METHYLBENZYL ALCOHOL 11476 Primary Metabolites Fiehn 122.073 C8H10O
5-aminovaleric acid 138 Primary Metabolites Fiehn 117.079 C5H11NO2
coniferyl alcohol 1549095 Primary Metabolites Fiehn 180.079 C10H12O3
p-toluenesulfonic acid 6101 Primary Metabolites Fiehn 172.019 C7H8O3S
Threonic acid 151152 Primary Metabolites Fiehn 136.037 C4H8O5
2-Hydroxyvaleric acid 98009 Primary Metabolites Fiehn 118.063 C5H10O3
N-acetyl-ornithine 439232 Primary Metabolites Fiehn 174.100 C7H14N2O3
3-ureidopropionate 111 Primary Metabolites Fiehn 132.053 C4H8N2O3
5-METHOXYTRYPTAMINE (methoxytryptamine) 1833 Primary Metabolites Fiehn 190.111 C11H14N2O
DL-p-hydroxyphenyllactic acid 9378 Primary Metabolites Fiehn 182.058 C9H10O4
L-(+) lactic acid 107689 Primary Metabolites Fiehn 90.032 C3H6O3
lactic acid 612 Primary Metabolites Fiehn 90.032 C3H6O3
Digitoxose 258531 Primary Metabolites Fiehn 148.074 C6H12O4
kyotorphin 123804 Primary Metabolites Fiehn 337.175 C15H23N5O4
shikimic acid 8742 Primary Metabolites Fiehn 174.053 C7H10O5
hydrocortisone 5754 Primary Metabolites Fiehn 362.209 C21H30O5
lactobionic acid 16219560 Primary Metabolites Fiehn 358.111 C12H22O12
Mevalonic acid lactone 10428 Primary Metabolites Fiehn 130.063 C6H10O3
N-gamma-acetyl-N-2-formyl-5-methoxykynurenamine (N-Acetyl-N-formyl-5-methoxykynurenamine) 171161 Primary Metabolites Fiehn 264.111 C13H16N2O4
N-(2-hydroxyethyl)iminodiacetic acid 7152 Primary Metabolites Fiehn 177.064 C6H11NO5
Ethyl cinnamate 7649 Primary Metabolites Fiehn 176.084 C11H12O2
2-Ketovaleric acid 74563 Primary Metabolites Fiehn 116.047 C5H8O3
L-lysine 5962 Primary Metabolites Fiehn 146.106 C6H14N2O2
succinic acid 1110 Primary Metabolites Fiehn 118.027 C4H6O4
heptadecanoic acid 10465 Primary Metabolites Fiehn 270.256 C17H34O2
oxaloacetic acid 970 Primary Metabolites Fiehn 132.006 C4H4O5
2′-deoxyadenosine 5′-monophosphate 621 Primary Metabolites Fiehn 331.068 C10H14N5O6P
putrescine (1,4-Diaminobutane) 1045 Primary Metabolites Fiehn 88.100 C4H12N2
PC(16:0/16:0) 452110 Complex lipids Fiehn 733.562 C40H80NO8P
4-hydroxyphenylpyruvic acid 979 Primary Metabolites Fiehn 180.042 C9H8O4
terephthalic acid 7489 Primary Metabolites Fiehn 166.027 C8H6O4
3-hydroxycinnamic acid (m-coumaric acid) 637541 Primary Metabolites Fiehn 164.047 C9H8O3
3-Methylthiopropylamine (3-(Methylthio)-propylamine) 77743 Primary Metabolites Fiehn 105.061 C4H11NS
2,3-Dimethylsuccinic acid 11848 Primary Metabolites Fiehn 146.058 C6H10O4
4-Methylbenzyl alcohol 11505 Primary Metabolites Fiehn 122.073 C8H10O
alpha-ketoglutaric acid (2-Ketoglutaric acid) 51 Primary Metabolites Fiehn 146.022 C5H6O5
prunetin (4',5-dihydroxy-7-methoxyisoflavone) 5281804 Primary Metabolites Fiehn 284.068 C16H12O5
Nicotianamine 9882882 Primary Metabolites Fiehn 303.143 C12H21N3O6
citric acid 311 Primary Metabolites Fiehn 192.027 C6H8O7
ferulic acid 445858 Primary Metabolites Fiehn 194.058 C10H10O4
Betaine 247 Complex lipids Fiehn 117.079 C5H11NO2
glucoheptonic acid 25588 Primary Metabolites Fiehn 226.069 C7H14O8
ACETOPHENONE 7410 Primary Metabolites Fiehn 120.058 C8H8O
benzamide 2331 Primary Metabolites Fiehn 121.053 C7H7NO
SM(d18:1/14:0) 11433862 Complex lipids Fiehn 674.536 C37H75N2O6P
β-Sitosterol 222284 Primary Metabolites Fiehn 414.386 C29H50O
gly-pro (N-Glycyl-L-Proline) 79101 Primary Metabolites Fiehn 172.085 C7H12N2O3
L-valine 6287 Primary Metabolites Fiehn 117.079 C5H11NO2
valine 1182 Primary Metabolites Fiehn 117.079 C5H11NO2
trehalose-6-phosphate 122336 Primary Metabolites Fiehn 422.083 C12H23O14P
DL-2-amino-3-phosphonopropionic acid 177120 Primary Metabolites Fiehn 169.014 C3H8NO5P
N-carbamyl-L-glutamic acid 3679006 Primary Metabolites Fiehn 190.059 C6H10N2O5
pyruvic acid 1060 Primary Metabolites Fiehn 88.016 C3H4O3
5-hydroxytryptophan 144 Primary Metabolites Fiehn 220.085 C11H12N2O3
5-hydroxy-L-tryptophan 439280 Primary Metabolites Fiehn 220.085 C11H12N2O3
uric acid 1175 Primary Metabolites Fiehn 168.028 C5H4N4O3
L-cystine 67678 Primary Metabolites Fiehn 240.024 C6H12N2O4S2
LysoPC(16:1(9Z)) 24779461 Complex lipids Fiehn 493.317 C24H48NO7P
4-androsten-7-alpha-ol-3,17-dione (7-Hydroxy-4-androstene-3,17-dione) 65542 Primary Metabolites Fiehn 302.188 C19H26O3
anandamide 5281969 Primary Metabolites Fiehn 347.282 C22H37NO2
3-Hydroxynorvaline (DL-ß-Hydroxynorvaline) 65097 Primary Metabolites Fiehn 133.074 C5H11NO3
guaiacol 460 Primary Metabolites Fiehn 124.052 C7H8O2
2-Hydroxyquinoline 6038 Primary Metabolites Fiehn 145.053 C9H7NO
L-4-Hydroxyphenylglycine 36143 Primary Metabolites Fiehn 167.058 C8H9NO3
N-Acetyl-beta-alanine 76406 Primary Metabolites Fiehn 131.058 C5H9NO3
5,6 - dimethylbenzimidazole 675 Primary Metabolites Fiehn 146.084 C9H10N2
PE(P-16:0/18:2(9Z,12Z)) 52925127 Complex lipids Fiehn 699.520 C39H74NO7P
2-Hydroxybiphenyl 7017 Primary Metabolites Fiehn 170.073 C12H10O
adenosine-3'-monophosphate (3'-adenylic acid) 41211 Primary Metabolites Fiehn 347.063 C10H14N5O7P
gallic acid 370 Primary Metabolites Fiehn 170.022 C7H6O5
urocanic acid 1178 Primary Metabolites Fiehn 138.043 C6H6N2O2
15-Keto-prostaglandin F2alpha 5280887 Primary Metabolites Fiehn 352.225 C20H32O5
acetylisatin (N-Acetylisatin) 11321 Primary Metabolites Fiehn 189.043 C10H7NO3
Dodecanol 8193 Primary Metabolites Fiehn 186.198 C12H26O
xanthine 1188 Primary Metabolites Fiehn 152.033 C5H4N4O2
L-norleucine 21236 Primary Metabolites Fiehn 131.095 C6H13NO2
2-phenylacetamide 7680 Primary Metabolites Fiehn 135.068 C8H9NO
6-methylprevitamin D 5283772 Primary Metabolites Fiehn 398.355 C28H46O
resveratrol 445154 Primary Metabolites Fiehn 228.079 C14H12O3
itaconic acid 811 Primary Metabolites Fiehn 130.027 C5H6O4
Bis(2-hydroxypropyl)amine 8086 Primary Metabolites Fiehn 133.110 C6H15NO2
pyridoxine 1054 Primary Metabolites Fiehn 169.074 C8H11NO3
sinapyl alcohol 5280507 Primary Metabolites Fiehn 210.089 C11H14O4
Tryptophol 10685 Primary Metabolites Fiehn 161.084 C10H11NO
dihydrolanosterol 440560 Primary Metabolites Fiehn 428.402 C30H52O
20alpha-Hydroxycholesterol (5-CHOLESTEN-3β,20α-DIOL ) 121935 Primary Metabolites Fiehn 402.350 C27H46O2
cortisone 222786 Primary Metabolites Fiehn 360.194 C21H28O5
thymol 6989 Primary Metabolites Fiehn 150.104 C10H14O
4-acetylbutyric acid 18407 Primary Metabolites Fiehn 130.063 C6H10O3
21-hydroxypregnenolone 440705 Primary Metabolites Fiehn 332.235 C21H32O3
1,5-Anhydroglucitol 64960 Primary Metabolites Fiehn 164.068 C6H12O5
2-Amino-2-norbornanecarboxylic acid 115288 Primary Metabolites Fiehn 155.095 C8H13NO2
purine riboside (Purine-9-D-ribofuranoside) 68368 Primary Metabolites Fiehn 252.086 C10H12N4O4
L-serine 5951 Primary Metabolites Fiehn 105.043 C3H7NO3
serine 617 Primary Metabolites Fiehn 105.043 C3H7NO3
DL-3,4-dihydroxyphenyl glycol 91528 Primary Metabolites Fiehn 170.058 C8H10O4
DL-Anabasine 2181 Primary Metabolites Fiehn 162.116 C10H14N2
oxalic acid 971 Primary Metabolites Fiehn 89.995 C2H2O4
testosterone 6013 Primary Metabolites Fiehn 288.209 C19H28O2
N-acetyl-5-hydroxytryptamine 903 Primary Metabolites Fiehn 218.106 C12H14N2O2
vanillin 1183 Primary Metabolites Fiehn 152.047 C8H8O3
PE(18:1(9Z)/18:1(9Z)) 9546757 Complex lipids Fiehn 743.546 C41H78NO8P
tyrosine methyl ester 70652 Primary Metabolites Fiehn 195.090 C10H13NO3
2-Deoxyuridine 13712 Primary Metabolites Fiehn 228.075 C9H12N2O5
piperine 638024 Primary Metabolites Fiehn 285.136 C17H19NO3
prostaglandin A2 5280880 Primary Metabolites Fiehn 334.214 C20H30O4
nornicotine ((+/-)-Nornicotine) 412 Primary Metabolites Fiehn 148.100 C9H12N2
SM(d18:1/18:1(9Z)) 6443882 Complex lipids Fiehn 728.583 C41H81N2O6P
phosphoric acid (ortho-Phosphoric acid) 1004 Primary Metabolites Fiehn 97.977 H3O4P
iminodiacetic acid 8897 Primary Metabolites Fiehn 133.038 C4H7NO4
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:1(9Z)) 52923693 Complex lipids Fiehn 831.578 C48H82NO8P
(−)-perillyl alcohol 369312 Primary Metabolites Fiehn 152.120 C10H16O
phenyl-beta-glucopyranoside (Phenyl beta-D-glucopyranoside) 65080 Primary Metabolites Fiehn 256.095 C12H16O6
L-menthone 26447 Primary Metabolites Fiehn 154.136 C10H18O
atrazin-2-hydroxy 16553 Primary Metabolites Fiehn 197.128 C8H15N5O
DEHYDROABIETIC ACID 94391 Primary Metabolites Fiehn 300.209 C20H28O2
salicin 5145 Primary Metabolites Fiehn 286.105 C13H18O7
erythrose 4-phosphate 122357 Primary Metabolites Fiehn 200.009 C4H9O7P
(+)-6-aminopenicillanic acid 11082 Primary Metabolites Fiehn 216.057 C8H12N2O3S
4-hydroxycinnamic acid (D-erythro-sphingosine) (p-Coumaric acid) 637542 Primary Metabolites Fiehn 164.047 C9H8O3
pyridoxal 5′-phosphate 1051 Primary Metabolites Fiehn 247.025 C8H10NO6P
fluorene 6853 Primary Metabolites Fiehn 166.078 C13H10
cycloleucine 2901 Primary Metabolites Fiehn 129.079 C6H11NO2
3-(4-hydroxyphenyl)propionic acid 10394 Primary Metabolites Fiehn 166.063 C9H10O3
mandelonitrile 10758 Primary Metabolites Fiehn 133.053 C8H7NO
3-hydroxy-3-methylglutaric acid (dicrotalic acid) 1662 Primary Metabolites Fiehn 162.053 C6H10O5
Aminooxyacetic acid 286 Primary Metabolites Fiehn 91.027 C2H5NO3
PE(P-16:0/20:2(11Z,14Z)) 52925059 Complex lipids Fiehn 727.552 C41H78NO7P
Allantoic acid 203 Primary Metabolites Fiehn 176.055 C4H8N4O4
octanal (Octyl Aldehyde) 454 Primary Metabolites Fiehn 128.120 C8H16O
5β-ANDROSTAN-17β-OL-3-ONE (dihydrotestosterone) 10635 Primary Metabolites Fiehn 290.225 C19H30O2
2-Amino-3-methyl-1-butanol (Levoglucosan) 79019 Primary Metabolites Fiehn 103.100 C5H13NO
guanosine 6802 Primary Metabolites Fiehn 283.092 C10H13N5O5
(+) -4-cholesten-3-one 91477 Primary Metabolites Fiehn 384.339 C27H44O
4-Cholesten-3-one 440 Primary Metabolites Fiehn 384.339 C27H44O
isocitric acid 1198 Primary Metabolites Fiehn 192.027 C6H8O7
L-pyroglutamic acid (oxoproline) 7405 Primary Metabolites Fiehn 129.043 C5H7NO3
arginine (L-Arginine) 6322 Primary Metabolites Fiehn 174.112 C6H14N4O2
malonic acid 867 Primary Metabolites Fiehn 104.011 C3H4O4
2,4-diaminobutyric acid 470 Primary Metabolites Fiehn 118.074 C4H10N2O2
biuret 7913 Primary Metabolites Fiehn 103.038 C2H5N3O2
4-isopropylbenzyl alcohol (cuminic alcohol) 325 Primary Metabolites Fiehn 150.104 C10H14O
1,2-CYCLOHEXANEDIONE 13006 Primary Metabolites Fiehn 112.052 C6H8O2
orcinol (5-METHYLRESORCINOL) 10436 Primary Metabolites Fiehn 124.052 C7H8O2
adenosine 60961 Primary Metabolites Fiehn 267.097 C10H13N5O4
5,6-dihydrouracil 649 Primary Metabolites Fiehn 114.043 C4H6N2O2
3-hydroxybenzyl alcohol 102 Primary Metabolites Fiehn 124.052 C7H8O2
CORTICOSTERONE 5753 Primary Metabolites Fiehn 346.214 C21H30O4
L-proline 145742 Primary Metabolites Fiehn 115.063 C5H9NO2
o-Hydroxyhippuric acid 10253 Primary Metabolites Fiehn 195.053 C9H9NO4
4-hydroxy-6-methyl-2-pyrone 12663 Primary Metabolites Fiehn 126.032 C6H6O3
Cytosine 597 Primary Metabolites Fiehn 111.043 C4H5N3O
diethyl oxalpropionate (2,8-Dihydroxyquinoline) 97750 Primary Metabolites Fiehn 202.084 C9H14O5
N-acetyl-L-aspartic acid 65065 Primary Metabolites Fiehn 175.048 C6H9NO5
DL-dihydrosphingosine 3126 Primary Metabolites Fiehn 301.298 C18H39NO2
D-Tyrosine 71098 Primary Metabolites Fiehn 181.074 C9H11NO3
L-tyrosine 6057 Primary Metabolites Fiehn 181.074 C9H11NO3
2-amino-3-(4-hydroxyphenyl)propanoic acid (DL-Tyrosine) 1153 Primary Metabolites Fiehn 181.074 C9H11NO3
N-Acetyl-D-glucosamine 24139 Primary Metabolites Fiehn 221.090 C8H15NO6
N-acetyl-D-mannosamine 13201636 Primary Metabolites Fiehn 221.090 C8H15NO6
N-Acetyl-D-galactosamine 35717 Primary Metabolites Fiehn 221.090 C8H15NO6
linoleic acid 5280450 Primary Metabolites Fiehn 280.240 C18H32O2
alpha-Aminoadipic acid 469 Primary Metabolites Fiehn 161.069 C6H11NO4
5-cholesten-3-beta-7-alpha-diol (7-alpha-Hydroxycholesterol)(7β-Hydroxycholesterol) 107722 Primary Metabolites Fiehn 402.350 C27H46O2
cyclohexylamine (cyclohexanamine) 7965 Primary Metabolites Fiehn 99.105 C6H13N
1-Aminocyclopropanecarboxylic acid 535 Primary Metabolites Fiehn 101.048 C4H7NO2
aniline 6115 Primary Metabolites Fiehn 93.058 C6H7N
cis-sinapinic acid 1549091 Primary Metabolites Fiehn 224.068 C11H12O5
3,5-dimethoxy-4-hydroxycinnamic acid (sinapinic acid) 637775 Primary Metabolites Fiehn 224.068 C11H12O5
glycerol 753 Primary Metabolites Fiehn 92.047 C3H8O3
MALEIMIDE 10935 Primary Metabolites Fiehn 97.016 C4H3NO2
coprostan-3-one 85881 Primary Metabolites Fiehn 386.355 C27H46O
5alpha-cholestan-3-one 92128 Primary Metabolites Fiehn 386.355 C27H46O
spermine 1103 Primary Metabolites Fiehn 202.216 C10H26N4
(+)-catechin 9064 Primary Metabolites Fiehn 290.079 C15H14O6
(-)-epicatechin 72276 Primary Metabolites Fiehn 290.079 C15H14O6
trans-cyclohexane-1,2-diol 92886 Primary Metabolites Fiehn 116.084 C6H12O2
cyclohexane-1,2-diol 13601 Primary Metabolites Fiehn 116.084 C6H12O2
3-methylcatechol 340 Primary Metabolites Fiehn 124.052 C7H8O2
(S)-Carnitine 2724480 Primary Metabolites Fiehn 161.105 C7H15NO3
Carnitine 288 Primary Metabolites Fiehn 161.105 C7H15NO3
L-carnitine 10917 Primary Metabolites Fiehn 161.105 C7H15NO3
Carnitine 10917 Complex lipids Fiehn 161.105 C7H15NO3
D-(+)-Gluconic acid δ-lactone 7027 Primary Metabolites Fiehn 178.048 C6H10O6
3-(1-Pyrazolyl)-L-alanine 151491 Primary Metabolites Fiehn 155.069 C6H9N3O2
PC(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) 52923293 Complex lipids Fiehn 807.578 C46H82NO8P
sucrose-6-phosphate 439762 Primary Metabolites Fiehn 422.083 C12H23O14P
4-aminophenol 403 Primary Metabolites Fiehn 109.053 C6H7NO
trans-4-hydroxy-L-proline 5810 Primary Metabolites Fiehn 131.058 C5H9NO3
2-hydroxycinnamic acid (o-coumaric acid) 637540 Primary Metabolites Fiehn 164.047 C9H8O3
cis-o-coumarinic acid 5280841 Primary Metabolites Fiehn 164.047 C9H8O3
4-hydroxyquinoline 69141 Primary Metabolites Fiehn 145.053 C9H7NO
D-(+)-Fucose 94270 Primary Metabolites Fiehn 164.068 C6H12O5
L-(−)-fucose 3034656 Primary Metabolites Fiehn 164.068 C6H12O5
tetracosane 12592 Primary Metabolites Fiehn 338.391 C24H50
lauric acid 3893 Primary Metabolites Fiehn 200.178 C12H24O2
ribose-5-phosphate 77982 Primary Metabolites Fiehn 230.019 C5H11O8P
ALDOSTERONE 5839 Primary Metabolites Fiehn 360.194 C21H28O5
estriol 5756 Primary Metabolites Fiehn 288.173 C18H24O3
PC(20:4(5Z,8Z,11Z,14Z)/16:0) 24779073 Complex lipids Fiehn 781.562 C44H80NO8P
nicotinic acid 938 Primary Metabolites Fiehn 123.032 C6H5NO2
palatinose 439559 Primary Metabolites Fiehn 342.116 C12H22O11
11-beta-prostaglandin-F-2-alpha 5280886 Primary Metabolites Fiehn 354.241 C20H34O5
orotic acid 967 Primary Metabolites Fiehn 156.017 C5H4N2O4
ribose 5311110 Primary Metabolites Fiehn 150.053 C5H10O5
D-lyxose 65550 Primary Metabolites Fiehn 150.053 C5H10O5
D-(+)-Xylose 644160 Primary Metabolites Fiehn 150.053 C5H10O5
N-formyl-L-methionine 439750 Primary Metabolites Fiehn 177.046 C6H11NO3S
LysoPE(18:1n9) 9547071 Complex lipids Fiehn 479.301 C23H46NO7P
sophorose 92797 Primary Metabolites Fiehn 342.116 C12H22O11
3,4-dihydroxycinnamic acid 689043 Primary Metabolites Fiehn 180.042 C9H8O4
caffeic acid 1549111 Primary Metabolites Fiehn 180.042 C9H8O4
sulfuric acid 1118 Primary Metabolites Fiehn 97.967 H2O4S
phloroglucinol 359 Primary Metabolites Fiehn 126.032 C6H6O3
DL-3-aminoisobutyric acid 64956 Primary Metabolites Fiehn 103.063 C4H9NO2
methionine sulfoxide 847 Primary Metabolites Fiehn 165.046 C5H11NO3S
L-methionine sulfoxide 158980 Primary Metabolites Fiehn 165.046 C5H11NO3S
icasonic acid methyl ester (methyl icosanoate) 14259 Primary Metabolites Fiehn 326.318 C21H42O2
androsterone 5879 Primary Metabolites Fiehn 290.225 C19H30O2
3-methyl-2-oxobutanoic acid (2-keto-isovalerate) 49 Primary Metabolites Fiehn 116.047 C5H8O3
PE(16:1(9Z)/16:0) 52924223 Complex lipids Fiehn 689.500 C37H72NO8P
1-Monopalmitin 14900 Primary Metabolites Fiehn 330.277 C19H38O4
hippuric acid 464 Primary Metabolites Fiehn 179.058 C9H9NO3
hydroquinone 785 Primary Metabolites Fiehn 110.037 C6H6O2
stearic acid 5281 Primary Metabolites Fiehn 284.272 C18H36O2
tryptophan 1148 Primary Metabolites Fiehn 204.090 C11H12N2O2
L-tryptophan 6305 Primary Metabolites Fiehn 204.090 C11H12N2O2
PC(18:1(9Z)/16:1(9Z)) 24778935 Complex lipids Fiehn 757.562 C42H80NO8P
PC(20:1(11Z)/18:1(9Z)) 52923113 Complex lipids Fiehn 813.625 C46H88NO8P
4-Hydroxyquinazoline 63112 Primary Metabolites Fiehn 146.048 C8H6N2O
alanine (DL-Alanine) 602 Primary Metabolites Fiehn 89.048 C3H7NO2
1-Indanone 6735 Primary Metabolites Fiehn 132.058 C9H8O
cis-1,2-dihydro-1,2-naphthalenediol ((1R,2S)-cis-1,2-dihydro-1,2-naphthalenediol) 440294 Primary Metabolites Fiehn 162.068 C10H10O2
N-Oleoyldopamine 5282106 Primary Metabolites Fiehn 417.324 C26H43NO3
SM(d16:1/18:1) 52931143 Complex lipids Fiehn 700.552 C39H77N2O6P
ciliatine 339 Primary Metabolites Fiehn 125.024 C2H8NO3P
Homovanillic acid 1738 Primary Metabolites Fiehn 182.058 C9H10O4
docosanoic acid, methyl ester 13584 Primary Metabolites Fiehn 354.350 C23H46O2
3-(3-hydroxyphenyl)propionic acid 91 Primary Metabolites Fiehn 166.063 C9H10O3
melezitose (D-(+)-melezitose) 92817 Primary Metabolites Fiehn 504.169 C18H32O16
o-cresol 335 Primary Metabolites Fiehn 108.058 C7H8O
Butyryl carnitine 213144 Complex lipids Fiehn 231.147 C11H21NO4
xanthotoxin 4114 Primary Metabolites Fiehn 216.042 C12H8O4
Cholestan-3beta-ol 6665 Primary Metabolites Fiehn 388.371 C27H48O
cholecalciferol 5280795 Primary Metabolites Fiehn 384.339 C27H44O
Lignoceric acid 11197 Primary Metabolites Fiehn 368.365 C24H48O2
1,3,5(10)-estratrien-3,6- beta-17-beta-triol 440168 Primary Metabolites Fiehn 288.173 C18H24O3
5beta-androstane-3,17-dione 440114 Primary Metabolites Fiehn 288.209 C19H28O2
5β-ANDROSTAN-3,17-DIONE 222865 Primary Metabolites Fiehn 288.209 C19H28O2
D-Glyceric acid 439194 Primary Metabolites Fiehn 106.027 C3H6O4
Acetylcarnitine 7045767 Complex lipids Fiehn 203.116 C9H17NO4
N-acetyl-L-glutamic acid 70914 Primary Metabolites Fiehn 189.064 C7H11NO5
alizarin 6293 Primary Metabolites Fiehn 240.042 C14H8O4
4-hydroxybenzaldehyde 126 Primary Metabolites Fiehn 122.037 C7H6O2
3,4-dihydroxymandelic acid 85782 Primary Metabolites Fiehn 184.037 C8H8O5
Galactonic acid 128869 Primary Metabolites Fiehn 196.058 C6H12O7
gluconic acid 604 Primary Metabolites Fiehn 196.058 C6H12O7
2'-Deoxycytidine 5'-triphosphate 65091 Primary Metabolites Fiehn 466.990 C9H16N3O13P3
L-citrulline 9750 Primary Metabolites Fiehn 175.096 C6H13N3O3
tetrahydrocorticosterone 65553 Primary Metabolites Fiehn 350.246 C21H34O4
1-Methylhydantoin 69217 Primary Metabolites Fiehn 114.043 C4H6N2O2
5-beta-cholestan-3-alpha-7-alpha-12-alpha-triol (3,7,12-Trihydroxycoprostane) 160520 Primary Metabolites Fiehn 420.360 C27H48O3
progesterone 5994 Primary Metabolites Fiehn 314.225 C21H30O2
lyxonic acid, 1,4-lactone, 3TMS 6427169 Primary Metabolites Fiehn 364.156 C14H32O5Si3
hyoscyamine (atropine) 3661 Primary Metabolites Fiehn 289.168 C17H23NO3
phytanic acid 26840 Primary Metabolites Fiehn 312.303 C20H40O2
m-cresol 342 Primary Metabolites Fiehn 108.058 C7H8O
3-isopropylmalate 5462261 Primary Metabolites Fiehn 176.068 C7H12O5
2-isopropylmalate 36 Primary Metabolites Fiehn 176.068 C7H12O5
tartronic acid 45 Primary Metabolites Fiehn 120.006 C3H4O5
scopoletin 5280460 Primary Metabolites Fiehn 192.042 C10H8O4
leucine 857 Primary Metabolites Fiehn 131.095 C6H13NO2
L-leucine 6106 Primary Metabolites Fiehn 131.095 C6H13NO2
guanosine-5'-monophosphate 6804 Primary Metabolites Fiehn 363.058 C10H14N5O8P
PC(18:1(9Z)/16:0) 24778933 Complex lipids Fiehn 759.578 C42H82NO8P
3-Indolepyruvic acid 803 Primary Metabolites Fiehn 203.058 C11H9NO3
abietic acid 10569 Primary Metabolites Fiehn 302.225 C20H30O2
PC(18:2(9Z,12Z)/18:1(9Z)) 52922727 Complex lipids Fiehn 783.578 C44H82NO8P
chrysin 5281607 Primary Metabolites Fiehn 254.058 C15H10O4
turanose 5460935 Primary Metabolites Fiehn 342.116 C12H22O11
SM(d18:1/16:0) 9939941 Complex lipids Fiehn 702.568 C39H79N2O6P
thymine 1135 Primary Metabolites Fiehn 126.043 C5H6N2O2
L-glutathione 124886 Primary Metabolites Fiehn 307.084 C10H17N3O6S
Monoolein (1-Oleoyl-rac-glycerol) 5283468 Primary Metabolites Fiehn 356.293 C21H40O4
adrenosterone 223997 Primary Metabolites Fiehn 300.173 C19H24O3
palmitoleic acid 445638 Primary Metabolites Fiehn 254.225 C16H30O2
3-indoleacetic acid 802 Primary Metabolites Fiehn 175.063 C10H9NO2
palatinitol 3034828 Primary Metabolites Fiehn 344.132 C12H24O11
norepinephrine (noradrenaline) 439260 Primary Metabolites Fiehn 169.074 C8H11NO3
noradrenaline 951 Primary Metabolites Fiehn 169.074 C8H11NO3
D-Erythronic acid gamma-Lactone 5325915 Primary Metabolites Fiehn 118.027 C4H6O4
6-deoxy-D-glucose 441480 Primary Metabolites Fiehn 164.068 C6H12O5
picolinic acid 1018 Primary Metabolites Fiehn 123.032 C6H5NO2
1-Hydroxy-2-naphthoic acid 6844 Primary Metabolites Fiehn 188.047 C11H8O3
4-hydroxybutyrate 10413 Primary Metabolites Fiehn 104.047 C4H8O3
dehydroshikimic acid 80 Primary Metabolites Fiehn 172.037 C7H8O5
2-FUROIC ACID 6919 Primary Metabolites Fiehn 112.016 C5H4O3
salicylaldehyde 6998 Primary Metabolites Fiehn 122.037 C7H6O2
norvaline 65098 Primary Metabolites Fiehn 117.079 C5H11NO2
PC(18:1(9Z)/18:1(9Z)) 10350317 Complex lipids Fiehn 785.593 C44H84NO8P
D-panthenol 131204 Primary Metabolites Fiehn 205.131 C9H19NO4
oxamic acid 974 Primary Metabolites Fiehn 89.011 C2H3NO3
Hydantoin, 5-(4-hydroxybutyl) 95514 Primary Metabolites Fiehn 172.085 C7H12N2O3
O-phosphocolamine (O-phosphorylethanolamine) 1015 Primary Metabolites Fiehn 141.019 C2H8NO4P
Acylcarnitine C20:2 n/a Complex lipids Fiehn    
N-cyclohexylformamide 13017 Primary Metabolites Fiehn 127.100 C7H13NO
2-HYDROXYESTRONE 440623 Primary Metabolites Fiehn 286.157 C18H22O3
1,3,5(10)-ESTRATRIEN-2,3-DIOL-17-ONE 9685 Primary Metabolites Fiehn 286.157 C18H22O3
4-Hydroxy-4-methyl-2-pentanone 31256 Primary Metabolites Fiehn 116.084 C6H12O2
2-Amino-3-methoxybenzoic acid 255720 Primary Metabolites Fiehn 167.058 C8H9NO3
lactamide 94220 Primary Metabolites Fiehn 89.048 C3H7NO2
glutaraldehyde 3485 Primary Metabolites Fiehn 100.052 C5H8O2
L-gulonic acid γ-lactone 439373 Primary Metabolites Fiehn 178.048 C6H10O6
myristic acid 11005 Primary Metabolites Fiehn 228.209 C14H28O2
Acylcarnitine C12:1 n/a Complex lipids Fiehn    
dibenzofuran 568 Primary Metabolites Fiehn 168.058 C12H8O
trans,trans-muconic acid 5356793 Primary Metabolites Fiehn 142.027 C6H6O4
2-oxobutyrate 58 Primary Metabolites Fiehn 102.032 C4H6O3
L-ascorbic acid 5785 Primary Metabolites Fiehn 176.032 C6H8O6
ascorbate 235 Primary Metabolites Fiehn 176.032 C6H8O6
xanthosine 1189 Primary Metabolites Fiehn 284.076 C10H12N4O6
2-hydroxypyridine 8871 Primary Metabolites Fiehn 95.037 C5H5NO
Beta- alanine 239 Primary Metabolites Fiehn 89.048 C3H7NO2
adrenaline ((-)-Epinephrine) 5816 Primary Metabolites Fiehn 183.090 C9H13NO3
Adenosine 5'-monophosphate 6083 Primary Metabolites Fiehn 347.063 C10H14N5O7P
adenosine-5-monophosphate 224 Primary Metabolites Fiehn 347.063 C10H14N5O7P
2-aminoethanethiol 6058 Primary Metabolites Fiehn 77.030 C2H7NS
naphthalene 931 Primary Metabolites Fiehn 128.063 C10H8
Glucosaminic acid 73563 Primary Metabolites Fiehn 195.074 C6H13NO6
inosine 6021 Primary Metabolites Fiehn 268.081 C10H12N4O5
cytidine 596 Primary Metabolites Fiehn 243.086 C9H13N3O5
PE(18:1(9Z)/16:1(9Z)) 52924899 Complex lipids Fiehn 715.515 C39H74NO8P
6-methylmercaptopurine 5778 Primary Metabolites Fiehn 166.031 C6H6N4S
N-(3-aminopropyl)-morpholine 61055 Primary Metabolites Fiehn 144.126 C7H16N2O
succinate semialdehyde 1112 Primary Metabolites Fiehn 102.032 C4H6O3
PC(16:0/14:0) 24778679 Complex lipids Fiehn 705.531 C38H76NO8P
carbazole 6854 Primary Metabolites Fiehn 167.073 C12H9N
L-homoserine 12647 Primary Metabolites Fiehn 119.058 C4H9NO3
behenic acid 8215 Primary Metabolites Fiehn 340.334 C22H44O2
(R)-(-)-carvone 7439 Primary Metabolites Fiehn 150.104 C10H14O
2-amino-1-phenylethanol 1000 Primary Metabolites Fiehn 137.084 C8H11NO
2-INDANONE 11983 Primary Metabolites Fiehn 132.058 C9H8O
D-threitol 169019 Primary Metabolites Fiehn 122.058 C4H10O4
alpha-Ecdysone 19212 Primary Metabolites Fiehn 464.314 C27H44O6
2-Monoolein (2-oleoylglycerol) 5319879 Primary Metabolites Fiehn 356.293 C21H40O4
dodecanoic acid methyl ester (methyl dodecanoate) 8139 Primary Metabolites Fiehn 214.193 C13H26O2
8-aminocaprylic acid 66085 Primary Metabolites Fiehn 159.126 C8H17NO2
PE(P-18:0/20:4) 9547058 Complex lipids Fiehn 751.552 C43H78NO7P
N-carbobenzyloxy-L-leucine 74840 Primary Metabolites Fiehn 265.131 C14H19NO4
O-phospho-L-threonine 3246323 Primary Metabolites Fiehn 199.025 C4H10NO6P
O-phosphonothreonine 1016 Primary Metabolites Fiehn 199.025 C4H10NO6P
PC(20:3(8Z,11Z,14Z)/18:0) 52923231 Complex lipids Fiehn 811.609 C46H86NO8P
phenaceturic acid 68144 Primary Metabolites Fiehn 193.074 C10H11NO3
PE(P-16:0/20:4(5Z,8Z,11Z,14Z)) 52925126 Complex lipids Fiehn 723.520 C41H74NO7P
2-amino-2-methyl-1,3-propanediol 1531 Primary Metabolites Fiehn 105.079 C4H11NO2
lumazine 10250 Primary Metabolites Fiehn 164.033 C6H4N4O2
4-acetamidobutyric acid 18189 Primary Metabolites Fiehn 145.074 C6H11NO3
1-Kestose 440080 Primary Metabolites Fiehn 504.169 C18H32O16
Monostearin (1-Stearoyl-rac-glycerol) 24699 Primary Metabolites Fiehn 358.308 C21H42O4
2-Keto-L-gulonic acid 102424 Primary Metabolites Fiehn 194.043 C6H10O7
galactinol 439451 Primary Metabolites Fiehn 342.116 C12H22O11
D-glucose-6-phosphate 439958 Primary Metabolites Fiehn 260.030 C6H13O9P
PE(20:4(5Z,8Z,11Z,14Z)/18:1(9Z)) 52924645 Complex lipids Fiehn 765.531 C43H76NO8P
phloretin 4788 Primary Metabolites Fiehn 274.084 C15H14O5
flavone 10680 Primary Metabolites Fiehn 222.068 C15H10O2
L-dithiothreitol 439196 Primary Metabolites Fiehn 154.012 C4H10O2S2
Dithioerythritol 19001 Primary Metabolites Fiehn 154.012 C4H10O2S2
1,4-dithioerythritol 439352 Primary Metabolites Fiehn 154.012 C4H10O2S2
hexacosanoic acid methyl ester (METHYL HEXACOSANOATE) 22048 Primary Metabolites Fiehn 410.412 C27H54O2
arachidic acid 10467 Primary Metabolites Fiehn 312.303 C20H40O2
dihydrocoumarin 660 Primary Metabolites Fiehn 148.052 C9H8O2
1,4-Dihydroxy-2-naphthoic acid 671 Primary Metabolites Fiehn 204.042 C11H8O4
3-phenyllactic acid 3848 Primary Metabolites Fiehn 166.063 C9H10O3
Epiestradiol 68570 Primary Metabolites Fiehn 272.178 C18H24O2
1,3,5(10)-ESTRATRIEN-3,17α-DIOL (estradiol) 5757 Primary Metabolites Fiehn 272.178 C18H24O2
maltitol 16217663 Primary Metabolites Fiehn 344.132 C12H24O11
lactitol 91476 Primary Metabolites Fiehn 344.132 C12H24O11
Cellobiotol 160514 Primary Metabolites Fiehn 344.132 C12H24O11
4-quinolinecarboxylic acid 10243 Primary Metabolites Fiehn 173.048 C10H7NO2
2-deoxy-D-glucose (2-Deoxy-D-galactose) 108223 Primary Metabolites Fiehn 164.068 C6H12O5
hydroxyurea 3657 Primary Metabolites Fiehn 76.027 CH4N2O2
guanidinosuccinic acid 97856 Primary Metabolites Fiehn 175.059 C5H9N3O4
flavin adenine dinucleotide 643975 Primary Metabolites Fiehn 785.157 C27H33N9O15P2
LysoPC(14:0) 460604 Complex lipids Fiehn 467.301 C22H46NO7P
fumaric acid 444972 Primary Metabolites Fiehn 116.011 C4H4O4
maleic acid 444266 Primary Metabolites Fiehn 116.011 C4H4O4
acetyl-L-serine (O-acetylserine) 189 Primary Metabolites Fiehn 147.053 C5H9NO4
cinnamic acid 444539 Primary Metabolites Fiehn 148.052 C9H8O2
benzylamine 7504 Primary Metabolites Fiehn 107.073 C7H9N
Cortexolone (Reichstein´s Substances) 9050 Primary Metabolites Fiehn 346.214 C21H30O4
3-hydroxybutyric acid 441 Primary Metabolites Fiehn 104.047 C4H8O3
(S)-3-Hydroxybutyric acid 94318 Primary Metabolites Fiehn 104.047 C4H8O3
2-METHOXYESTRONE [ 1,3,5(10)-ESTRATRIEN-2,3-DIOL-17-ONE2-METHYLETHER ] 440624 Primary Metabolites Fiehn 300.173 C19H24O3
glutamic acid 611 Primary Metabolites Fiehn 147.053 C5H9NO4
L-Glutamic acid 33032 Primary Metabolites Fiehn 147.053 C5H9NO4
Methoxamedrine 6082 Primary Metabolites Fiehn 211.121 C11H17NO3
3,4-dimethoxybenzaldehyde 8419 Primary Metabolites Fiehn 166.063 C9H10O3
3-hydroxyanthranilic acid 86 Primary Metabolites Fiehn 153.043 C7H7NO3
vanillic acid (4-hydroxy-3-methoxybenzoic acid) 8468 Primary Metabolites Fiehn 168.042 C8H8O4
pimelic acid 385 Primary Metabolites Fiehn 160.074 C7H12O4
PHENYLACETIC ACID 999 Primary Metabolites Fiehn 136.052 C8H8O2
adipic acid 196 Primary Metabolites Fiehn 146.058 C6H10O4
3-Methylamino-1,2-propanediol 2734122 Primary Metabolites Fiehn 105.079 C4H11NO2
benzoic acid 243 Primary Metabolites Fiehn 122.037 C7H6O2
pentadecanoic acid 13849 Primary Metabolites Fiehn 242.225 C15H30O2
pyrogallol 1057 Primary Metabolites Fiehn 126.032 C6H6O3
galactose 6036 Primary Metabolites Fiehn 180.063 C6H12O6
pyrrole -2-carboxylic acid 12473 Primary Metabolites Fiehn 111.032 C5H5NO2
malonamide 7911 Primary Metabolites Fiehn 102.043 C3H6N2O2
(-)-Dihydrocarveol 37894 Primary Metabolites Fiehn 154.136 C10H18O
4-androsten-11-beta-ol-3,17-dione 94141 Primary Metabolites Fiehn 302.188 C19H26O3
3-(3,4-Dihydroxyphenyl)-L-alanine [L-DOPA] 6047 Primary Metabolites Fiehn 197.069 C9H11NO4
L-3,4-Dihydroxyphenylalanine 836 Primary Metabolites Fiehn 197.069 C9H11NO4
citral 638011 Primary Metabolites Fiehn 152.120 C10H16O
Linoleic acid methyl ester 5284421 Primary Metabolites Fiehn 294.256 C19H34O2
5,7-dihydroxy-3-(4-methoxyphenyl)chromen-4-one (Biochanin A = 5,7-Dihydroxy-4'-Methoxyisoflavone) 5280373 Primary Metabolites Fiehn 284.068 C16H12O5
5′-deoxy-5′-(methylthio)adenosine (5'-methylthioadenosine) 439176 Primary Metabolites Fiehn 297.090 C11H15N5O3S
benzyl alcohol 244 Primary Metabolites Fiehn 108.058 C7H8O
PE(P-16:0/22:6) 5283497 Complex lipids Fiehn 747.520 C43H74NO7P
N-methylanthranilic acid 67069 Primary Metabolites Fiehn 151.063 C8H9NO2
Sphingosine 5280335 Complex lipids Fiehn 299.282 C18H37NO2
caprylic acid 379 Primary Metabolites Fiehn 144.115 C8H16O2
N-acetyl-L-leucine 70912 Primary Metabolites Fiehn 173.105 C8H15NO3
gentisic acid 3469 Primary Metabolites Fiehn 154.027 C7H6O4
paraoxon ethyl 9395 Primary Metabolites Fiehn 275.056 C10H14NO6P
3,6-Anhydro-D-galactose 16069996 Primary Metabolites Fiehn 162.053 C6H10O5
Prostaglandin E2 158 Primary Metabolites Fiehn 352.225 C20H32O5
1,3-diaminopropane 428 Primary Metabolites Fiehn 74.084 C3H10N2
citramalic acid 439766 Primary Metabolites Fiehn 148.037 C5H8O5
3-indolelactic acid (Indolelactate) 92904 Primary Metabolites Fiehn 205.074 C11H11NO3
4-Androsten-19-ol-3,17-dione 252379 Primary Metabolites Fiehn 302.188 C19H26O3
maltotriitol 3625615 Primary Metabolites Fiehn 506.185 C18H34O16
alpha-santonin 221071 Primary Metabolites Fiehn 246.126 C15H18O3
3-METHYLGLUTARIC ACID 12284 Primary Metabolites Fiehn 146.058 C6H10O4
4-nitrocatechol 3505109 Primary Metabolites Fiehn 155.022 C6H5NO4
Nω-acetylhistamine (N-omega-Acetylhistamine) 69602 Primary Metabolites Fiehn 153.090 C7H11N3O
N-Methyl-L-glutamic acid 439377 Primary Metabolites Fiehn 161.069 C6H11NO4
acetol 8299 Primary Metabolites Fiehn 74.037 C3H6O2
Cerotinic acid 10469 Primary Metabolites Fiehn 396.397 C26H52O2
hydrocinnamic acid 107 Primary Metabolites Fiehn 150.068 C9H10O2
epigallocatechin 72277 Primary Metabolites Fiehn 306.074 C15H14O7
5-alpha-pregnan-3,20-dione (5-alpha-Dihydroprogesterone; 5α-PREGNAN-3,20-DIONE ) 92810 Primary Metabolites Fiehn 316.240 C21H32O2
phthalic acid 1017 Primary Metabolites Fiehn 166.027 C8H6O4
2-ketocaproic acid 159664 Primary Metabolites Fiehn 130.063 C6H10O3
taurine 1123 Primary Metabolites Fiehn 125.015 C2H7NO3S
Acylcarnitine C16:0 16902 Complex lipids Fiehn 399.335 C23H45NO4
pyrophosphate 1023 Primary Metabolites Fiehn 177.943 H4O7P2
D-Fructose 1,6-bisphosphate 84951 Primary Metabolites Fiehn 339.996 C6H14O12P2
4-hydroxyphenylacetic acid 127 Primary Metabolites Fiehn 152.047 C8H8O3
urea 1176 Primary Metabolites Fiehn 60.032 CH4N2O
tetracosanoic acid methyl ester (Methyl tetracosanoate) 75546 Primary Metabolites Fiehn 382.381 C25H50O2
L-Cysteine 5862 Primary Metabolites Fiehn 121.020 C3H7NO2S
L-cysteine 594 Primary Metabolites Fiehn 121.020 C3H7NO2S
2-piperidone (5-aminovaleric acid lactam) 12665 Primary Metabolites Fiehn 99.068 C5H9NO
Glutaconic acid 5280498 Primary Metabolites Fiehn 130.027 C5H6O4
L-cysteic acid 72886 Primary Metabolites Fiehn 169.004 C3H7NO5S
4-nitrophenyl phosphate 378 Primary Metabolites Fiehn 218.993 C6H6NO6P
PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/16:0) 24779131 Complex lipids Fiehn 805.562 C46H80NO8P
LysoPC(18:1(9Z)) 16081932 Complex lipids Fiehn 521.348 C26H52NO7P
biotin 171548 Primary Metabolites Fiehn 244.088 C10H16N2O3S
2-(4-hydroxyphenyl)ethanol 10393 Primary Metabolites Fiehn 138.068 C8H10O2
catechol 289 Primary Metabolites Fiehn 110.037 C6H6O2
5-Dihydrocortisone [ 5α-PREGNAN-17,21-DIOL-3,11,20-TRIONE ] 65554 Primary Metabolites Fiehn 362.209 C21H30O5
N,N-dimethylarginine 123831 Primary Metabolites Fiehn 202.143 C8H18N4O2
L-kynurenine 161166 Primary Metabolites Fiehn 208.085 C10H12N2O3
salicylic acid (o-Hydroxybenzoic acid) 338 Primary Metabolites Fiehn 138.032 C7H6O3
3-Hexenedioic acid 107550 Primary Metabolites Fiehn 144.042 C6H8O4
4-nitroquinoline N-oxide 5955 Primary Metabolites Fiehn 190.038 C9H6N2O3
farnesal 5280598 Primary Metabolites Fiehn 220.183 C15H24O
DL-4-hydroxymandelic acid 328 Primary Metabolites Fiehn 168.042 C8H8O4
1-INDANOL 22819 Primary Metabolites Fiehn 134.073 C9H10O
oxamide 10113 Primary Metabolites Fiehn 88.027 C2H4N2O2
10-Hydroxydecanoic acid 74300 Primary Metabolites Fiehn 188.141 C10H20O3
2'-deoxyguanosine 187790 Primary Metabolites Fiehn 267.097 C10H13N5O4
2,3-dihydroxybiphenyl (3-phenylcatechol) 254 Primary Metabolites Fiehn 186.068 C12H10O2
9-fluorenone 10241 Primary Metabolites Fiehn 180.058 C13H8O
phosphomycin 31669 Primary Metabolites Fiehn 138.008 C3H7O4P
CHOLESTAN-3β,5α,6β-TRIOL (Cholestane-3,5,6-triol, (3.beta.,5.alpha.,6.beta.)-) 91498 Primary Metabolites Fiehn 420.360 C27H48O3
phenanthrene 995 Primary Metabolites Fiehn 178.078 C14H10
N-ethylglycine 316542 Primary Metabolites Fiehn 103.063 C4H9NO2
d-Glucoheptose 76599 Primary Metabolites Fiehn 210.074 C7H14O7
3,4-dihydroxybenzoic acid 72 Primary Metabolites Fiehn 154.027 C7H6O4
(+/-)-Synephrine 667452 Primary Metabolites Fiehn 167.095 C9H13NO2
synephrine 7172 Primary Metabolites Fiehn 167.095 C9H13NO2
decanoic acid methyl ester (methyl decanoate) 8050 Primary Metabolites Fiehn 186.162 C11H22O2
Erythrose 94176 Primary Metabolites Fiehn 120.042 C4H8O4
citric acid 311 Primary Metabolites Fiehn 192.027 C6H8O7
Fructose 2,6-biphosphate 105021 Primary Metabolites Fiehn 339.996 C6H14O12P2
squalene 638072 Primary Metabolites Fiehn 410.391 C30H50
arachidonic acid 444899 Primary Metabolites Fiehn 304.240 C20H32O2
tocopherol acetate 86472 Primary Metabolites Fiehn 472.392 C31H52O3
tetradecanoic acid methyl ester (Methyl myristate ) 31284 Primary Metabolites Fiehn 242.225 C15H30O2
4-methylcatechol 9958 Primary Metabolites Fiehn 124.052 C7H8O2
nicotinoylglycine 68499 Primary Metabolites Fiehn 180.053 C8H8N2O3
halostachine 6950649 Primary Metabolites Fiehn 151.100 C9H13NO
3,4-Dihydroxypyridine 105085 Primary Metabolites Fiehn 111.032 C5H5NO2
saccharopine 1087 Primary Metabolites Fiehn 276.132 C11H20N2O6
L-Saccharopine 160556 Primary Metabolites Fiehn 276.132 C11H20N2O6
L-glutamine 5961 Primary Metabolites Fiehn 146.069 C5H10N2O3
Allylmalonic acid 75748 Primary Metabolites Fiehn 144.042 C6H8O4
4-hydroxy-3-methoxybenzyl alcohol 62348 Primary Metabolites Fiehn 154.063 C8H10O3
p-anisic acid 7478 Primary Metabolites Fiehn 152.047 C8H8O3
conduritol beta-epoxide 2859 Primary Metabolites Fiehn 162.053 C6H10O5
methylmalonic acid 487 Primary Metabolites Fiehn 118.027 C4H6O4
22-Ketocholesterol 101465 Primary Metabolites Fiehn 400.334 C27H44O2
7,8-dimethylalloxazine 5326566 Primary Metabolites Fiehn 242.080 C12H10N4O2
4-Hydroxymethyl-3-methoxyphenoxyacetic acid 134310 Primary Metabolites Fiehn 212.068 C10H12O5
octacosanoic acid methyl ester 41518 Primary Metabolites Fiehn 438.444 C29H58O2
aniline-o-sulfonic acid 6926 Primary Metabolites Fiehn 173.015 C6H7NO3S
2-mercaptoethanesulfonic acid 598 Primary Metabolites Fiehn 141.976 C2H6O3S2
indole-3-acetamide 397 Primary Metabolites Fiehn 174.079 C10H10N2O
flavanone 10251 Primary Metabolites Fiehn 224.084 C15H12O2
cyclic GMP 295 Primary Metabolites Fiehn 345.047 C10H12N5O7P
Guanosine 3',5'-cyclic monophosphate 24316 Primary Metabolites Fiehn 345.047 C10H12N5O7P
oleic acid 445639 Primary Metabolites Fiehn 282.256 C18H34O2
Elaidic acid 637517 Primary Metabolites Fiehn 282.256 C18H34O2
daidzein 5281708 Primary Metabolites Fiehn 254.058 C15H10O4
butyraldehyde 261 Primary Metabolites Fiehn 72.058 C4H8O
L-homocystine 439579 Primary Metabolites Fiehn 268.055 C8H16N2O4S2
Homocystine 69382 Primary Metabolites Fiehn 268.055 C8H16N2O4S2
cysteinylglycine 65270 Primary Metabolites Fiehn 178.041 C5H10N2O3S
biphenyl 7095 Primary Metabolites Fiehn 154.078 C12H10
PE(P-16:0/18:1(9Z)) 52925128 Complex lipids Fiehn 701.536 C39H76NO7P
2,4-dihydroxypyrimidine-5-carboxylic acid (uracil-5-carboxylic acid) 90301 Primary Metabolites Fiehn 156.017 C5H4N2O4