Data for ST001753
| Metabolite structure | All data | F1 | F2 | F3 | F4 | F5 | F6 | F7 | F8 |
|---|---|---|---|---|---|---|---|---|---|
| 1,1-DIMETHYLPYRROLIDIN-1-IUM-2-CARBOXYLATE | 1720260.00 | 1720260.00 | 1720260.00 | 1720260.00 | 1720260.00 | 1720260.00 | 1720260.00 | 1720260.00 | |
| 1,2-DIMETHYL-5-NITRO-1H-IMIDAZOLE | 25431.00 | 25431.00 | 25431.00 | 25431.00 | 25431.00 | 25431.00 | 25431.00 | 25431.00 | |
| 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | 2202.00 | 2202.00 | 2202.00 | 2202.00 | 2202.00 | 2202.00 | 2202.00 | 2202.00 | |
| 1-(3-AMINOPIPERIDINO)ETHANONE | 4845.00 | 4845.00 | 4845.00 | 4845.00 | 4845.00 | 4845.00 | 4845.00 | 4845.00 | |
| 1-(4-BROMO-2-FLUORO-PHENYL)PROPAN-1-ONE | 917.00 | 917.00 | 917.00 | 917.00 | 917.00 | 917.00 | 917.00 | 917.00 | |
| 1-HEXADECANOYL-2-(5-OXOVALEROYL)-SN-GLYCERO-3-PHOSPHOCHOLINE | 7429.00 | 7429.00 | 7429.00 | 7429.00 | 7429.00 | 7429.00 | 7429.00 | 7429.00 | |
| 1-HEXADECANOYL-2-DODECANOYL-SN-GLYCERO-3-PHOSPHOCHOLINE | 18483.00 | 18483.00 | 18483.00 | 18483.00 | 18483.00 | 18483.00 | 18483.00 | 18483.00 | |
| 1-HEXADECYL-2-(5Z,8Z,11Z,14Z,17Z-EICOSAPENTAENOYL)-SN-GLYCER... | 344520.00 | 344520.00 | 344520.00 | 344520.00 | 344520.00 | 344520.00 | 344520.00 | 344520.00 | |
| 1-HEXADECYL-2-(9Z-OCTADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLINE | 25087.00 | 25087.00 | 25087.00 | 25087.00 | 25087.00 | 25087.00 | 25087.00 | 25087.00 | |
| 1~{H}-INDOLE-4-CARBALDEHYDE | 29990.00 | 29990.00 | 29990.00 | 29990.00 | 29990.00 | 29990.00 | 29990.00 | 29990.00 | |
| 1-METHYLADENOSINE | 19056.00 | 19056.00 | 19056.00 | 19056.00 | 19056.00 | 19056.00 | 19056.00 | 19056.00 | |
| 1-METHYLHISTAMINE | 16158.00 | 16158.00 | 16158.00 | 16158.00 | 16158.00 | 16158.00 | 16158.00 | 16158.00 | |
| 1-METHYL NICOTINAMIDE | 25327.00 | 25327.00 | 25327.00 | 25327.00 | 25327.00 | 25327.00 | 25327.00 | 25327.00 | |
| 1-METHYLXANTHINE | 2495.00 | 2495.00 | 2495.00 | 2495.00 | 2495.00 | 2495.00 | 2495.00 | 2495.00 | |
| 1-OCTADECANOYL-2-(9E-OCTADECENOYL)-SN-GLYCERO-3-PHOSPHOCHOLI... | 137785.00 | 137785.00 | 137785.00 | 137785.00 | 137785.00 | 137785.00 | 137785.00 | 137785.00 | |
| 2-(1-METHYL-1H-IMIDAZOL-5-YL)ACETIC ACID | 35050.00 | 35050.00 | 35050.00 | 35050.00 | 35050.00 | 35050.00 | 35050.00 | 35050.00 | |
| 2-(2,2,2-TRIFLUOROETHYLAMINO)ETHANOL | 600.00 | 600.00 | 600.00 | 600.00 | 600.00 | 600.00 | 600.00 | 600.00 | |
| (2-{[(2R)-2,3-BIS[(11Z)-ICOS-11-ENOYLOXY]PROPYL PHOSPHONATO]... | 5722.00 | 5722.00 | 5722.00 | 5722.00 | 5722.00 | 5722.00 | 5722.00 | 5722.00 | |
| (2-{[(2R)-2,3-BIS[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYL... | 32136.00 | 32136.00 | 32136.00 | 32136.00 | 32136.00 | 32136.00 | 32136.00 | 32136.00 | |
| (2-{[(2R)-2,3-BIS[(9Z,12Z,15Z)-OCTADECA-9,12,15-TRIENOYLOXY]... | 7923.00 | 7923.00 | 7923.00 | 7923.00 | 7923.00 | 7923.00 | 7923.00 | 7923.00 | |
| (2-{[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]PROPYL P... | 9151.00 | 9151.00 | 9151.00 | 9151.00 | 9151.00 | 9151.00 | 9151.00 | 9151.00 | |
| (2-{[(2R)-2,3-BIS[(9Z)-HEXADEC-9-ENOYLOXY]PROPYL PHOSPHONATO... | 64537.00 | 64537.00 | 64537.00 | 64537.00 | 64537.00 | 64537.00 | 64537.00 | 64537.00 | |
| (2-{[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPHONATO... | 858009.00 | 858009.00 | 858009.00 | 858009.00 | 858009.00 | 858009.00 | 858009.00 | 858009.00 | |
| (2-{[(2R)-2,3-BIS[(9Z)-TETRADEC-9-ENOYLOXY]PROPYL PHOSPHONAT... | 7851.00 | 7851.00 | 7851.00 | 7851.00 | 7851.00 | 7851.00 | 7851.00 | 7851.00 | |
| (2-{[(2R)-2,3-BIS(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ETH... | 11300.00 | 11300.00 | 11300.00 | 11300.00 | 11300.00 | 11300.00 | 11300.00 | 11300.00 | |
| (2-{[(2R)-2,3-BIS(TETRADECANOYLOXY)PROPYL PHOSPHONATO]OXY}ET... | 10093.00 | 10093.00 | 10093.00 | 10093.00 | 10093.00 | 10093.00 | 10093.00 | 10093.00 | |
| (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-... | 57580.00 | 57580.00 | 57580.00 | 57580.00 | 57580.00 | 57580.00 | 57580.00 | 57580.00 | |
| (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-... | 1066814.00 | 1066814.00 | 1066814.00 | 1066814.00 | 1066814.00 | 1066814.00 | 1066814.00 | 1066814.00 | |
| (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-... | 98384.00 | 98384.00 | 98384.00 | 98384.00 | 98384.00 | 98384.00 | 98384.00 | 98384.00 | |
| (2-{[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-... | 10675.00 | 10675.00 | 10675.00 | 10675.00 | 10675.00 | 10675.00 | 10675.00 | 10675.00 | |
| (2-{[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]-... | 402584.00 | 402584.00 | 402584.00 | 402584.00 | 402584.00 | 402584.00 | 402584.00 | 402584.00 | |
| (2-{[(2R)-2-(ACETYLOXY)-3-(HEXADECYLOXY)PROPYL PHOSPHONATO]O... | 192905.00 | 192905.00 | 192905.00 | 192905.00 | 192905.00 | 192905.00 | 192905.00 | 192905.00 | |
| (2-{[(2R)-2-(HEXADECANOYLOXY)-3-[(9Z)-OCTADEC-9-ENOYLOXY]PRO... | 2324318.00 | 2324318.00 | 2324318.00 | 2324318.00 | 2324318.00 | 2324318.00 | 2324318.00 | 2324318.00 | |
| (2-{[(2R)-2-(HEXADECANOYLOXY)-3-(TETRADECANOYLOXY)PROPYL PHO... | 47480.00 | 47480.00 | 47480.00 | 47480.00 | 47480.00 | 47480.00 | 47480.00 | 47480.00 | |
| (2-{[(2R)-2-HYDROXY-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]PROPYL PHOS... | 174935.00 | 174935.00 | 174935.00 | 174935.00 | 174935.00 | 174935.00 | 174935.00 | 174935.00 | |
| (2-{[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PROPYL PHOSPH... | 3795339.00 | 3795339.00 | 3795339.00 | 3795339.00 | 3795339.00 | 3795339.00 | 3795339.00 | 3795339.00 | |
| (2-{[(2R)-2-HYDROXY-3-(ICOSANOYLOXY)PROPYL PHOSPHONATO]OXY}E... | 23542.00 | 23542.00 | 23542.00 | 23542.00 | 23542.00 | 23542.00 | 23542.00 | 23542.00 | |
| (2-{[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPYL PHOSPHONATO]OX... | 4734947.00 | 4734947.00 | 4734947.00 | 4734947.00 | 4734947.00 | 4734947.00 | 4734947.00 | 4734947.00 | |
| (2-{[(2R)-2-HYDROXY-3-(PENTADECANOYLOXY)PROPYL PHOSPHONATO]O... | 390940.00 | 390940.00 | 390940.00 | 390940.00 | 390940.00 | 390940.00 | 390940.00 | 390940.00 | |
| (2-{[(2R)-3-[(1Z)-HEXADEC-1-EN-1-YLOXY]-2-HYDROXYPROPYL PHOS... | 19220.00 | 19220.00 | 19220.00 | 19220.00 | 19220.00 | 19220.00 | 19220.00 | 19220.00 | |
| (2-{[(2R)-3-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,10,13,16,19-... | 386428.00 | 386428.00 | 386428.00 | 386428.00 | 386428.00 | 386428.00 | 386428.00 | 386428.00 | |
| (2-{[(2R)-3-(HEPTADECANOYLOXY)-2-HYDROXYPROPYL PHOSPHONATO]O... | 324222.00 | 324222.00 | 324222.00 | 324222.00 | 324222.00 | 324222.00 | 324222.00 | 324222.00 | |
| (2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADECA-9,12-DIEN... | 6290823.00 | 6290823.00 | 6290823.00 | 6290823.00 | 6290823.00 | 6290823.00 | 6290823.00 | 6290823.00 | |
| (2-{[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-ENOYLOXY]PRO... | 2365168.00 | 2365168.00 | 2365168.00 | 2365168.00 | 2365168.00 | 2365168.00 | 2365168.00 | 2365168.00 | |
| (2-{[(2R)-3-(HEXADECANOYLOXY)-2-(OCTADECANOYLOXY)PROPYL PHOS... | 18724.00 | 18724.00 | 18724.00 | 18724.00 | 18724.00 | 18724.00 | 18724.00 | 18724.00 | |
| (2-{[(2R)-3-(HEXADECANOYLOXY)-2-(TETRADECANOYLOXY)PROPYL PHO... | 110243.00 | 110243.00 | 110243.00 | 110243.00 | 110243.00 | 110243.00 | 110243.00 | 110243.00 | |
| 2-[(2R)-PYRROLIDIN-1-IUM-2-YL]ACETATE | 961.00 | 961.00 | 961.00 | 961.00 | 961.00 | 961.00 | 961.00 | 961.00 | |
| 2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]ACETIC ACID | 6019.00 | 6019.00 | 6019.00 | 6019.00 | 6019.00 | 6019.00 | 6019.00 | 6019.00 | |
| 2-(3-CHLOROPHENYL)-3,5,5-TRIMETHYL-MORPHOLIN-2-OL | 3842.00 | 3842.00 | 3842.00 | 3842.00 | 3842.00 | 3842.00 | 3842.00 | 3842.00 | |
| 2-(4-{2-HYDROXY-3-[(PROPAN-2-YL)AMINO]PROPOXY}PHENYL)ACETAMI... | 2084.00 | 2084.00 | 2084.00 | 2084.00 | 2084.00 | 2084.00 | 2084.00 | 2084.00 | |
| 2-[[4-(3,12-DIHYDROXY-10,13-DIMETHYL-2,3,4,5,6,7,8,9,11,12,1... | 28511.00 | 28511.00 | 28511.00 | 28511.00 | 28511.00 | 28511.00 | 28511.00 | 28511.00 | |
| 2,5-DIAMINOPENTANOIC ACID | 7865.00 | 7865.00 | 7865.00 | 7865.00 | 7865.00 | 7865.00 | 7865.00 | 7865.00 | |
| [2-[(5Z,8Z,11Z,14Z,17Z)-EICOSA-5,8,11,14,17-PENTAENOYL]OXY-3... | 129607.00 | 129607.00 | 129607.00 | 129607.00 | 129607.00 | 129607.00 | 129607.00 | 129607.00 | |
| 2-(ACETYLTHIO)ETHYL-TRIMETHYL-AMMONIUM | 3737.00 | 3737.00 | 3737.00 | 3737.00 | 3737.00 | 3737.00 | 3737.00 | 3737.00 | |
| (2-AMINO-1,1-DIMETHYL-ETHYL)AMINE | 665270.00 | 665270.00 | 665270.00 | 665270.00 | 665270.00 | 665270.00 | 665270.00 | 665270.00 | |
| 2-AMINO-1-PHENYLETHAN-1-ONE | 3045.00 | 3045.00 | 3045.00 | 3045.00 | 3045.00 | 3045.00 | 3045.00 | 3045.00 | |
| 2-AMINO-3-(1H-INDOL-3-YL)PROPANOIC ACID | 120614.00 | 120614.00 | 120614.00 | 120614.00 | 120614.00 | 120614.00 | 120614.00 | 120614.00 | |
| 2-AMINO-4-(2-AMINOPHENYL)-4-OXOBUTANOIC ACID | 2527.00 | 2527.00 | 2527.00 | 2527.00 | 2527.00 | 2527.00 | 2527.00 | 2527.00 | |
| 2-AMINO-6-(1-AMINOETHYLIDENEAMINO)HEXANOIC ACID | 8870.00 | 8870.00 | 8870.00 | 8870.00 | 8870.00 | 8870.00 | 8870.00 | 8870.00 | |
| (2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z,12Z)-OCTADECA-9,12-DIENOYLO... | 8771.00 | 8771.00 | 8771.00 | 8771.00 | 8771.00 | 8771.00 | 8771.00 | 8771.00 | |
| (2-AMINOETHOXY)[(2R)-2,3-BIS[(9Z)-OCTADEC-9-ENOYLOXY]PROPOXY... | 96128.00 | 96128.00 | 96128.00 | 96128.00 | 96128.00 | 96128.00 | 96128.00 | 96128.00 | |
| (2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,1... | 53374.00 | 53374.00 | 53374.00 | 53374.00 | 53374.00 | 53374.00 | 53374.00 | 53374.00 | |
| (2-AMINOETHOXY)[(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-DOCOSA-4,7,1... | 43022.00 | 43022.00 | 43022.00 | 43022.00 | 43022.00 | 43022.00 | 43022.00 | 43022.00 | |
| (2-AMINOETHOXY)[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETR... | 204684.00 | 204684.00 | 204684.00 | 204684.00 | 204684.00 | 204684.00 | 204684.00 | 204684.00 | |
| (2-AMINOETHOXY)[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3... | 86579.00 | 86579.00 | 86579.00 | 86579.00 | 86579.00 | 86579.00 | 86579.00 | 86579.00 | |
| (2-AMINOETHOXY)[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-(OCTADECA... | 116160.00 | 116160.00 | 116160.00 | 116160.00 | 116160.00 | 116160.00 | 116160.00 | 116160.00 | |
| (2-AMINOETHOXY)[(2R)-2-HYDROXY-3-[(9Z)-OCTADEC-9-ENOYLOXY]PR... | 15998.00 | 15998.00 | 15998.00 | 15998.00 | 15998.00 | 15998.00 | 15998.00 | 15998.00 | |
| (2-AMINOETHOXY)[(2R)-2-HYDROXY-3-(OCTADECANOYLOXY)PROPOXY]PH... | 13492.00 | 13492.00 | 13492.00 | 13492.00 | 13492.00 | 13492.00 | 13492.00 | 13492.00 | |
| (2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z,12Z)-OCTADEC... | 52953.00 | 52953.00 | 52953.00 | 52953.00 | 52953.00 | 52953.00 | 52953.00 | 52953.00 | |
| (2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-[(9Z)-OCTADEC-9-E... | 51318.00 | 51318.00 | 51318.00 | 51318.00 | 51318.00 | 51318.00 | 51318.00 | 51318.00 | |
| (2-AMINOETHOXY)[(2R)-3-(HEXADECANOYLOXY)-2-HYDROXYPROPOXY]PH... | 18169.00 | 18169.00 | 18169.00 | 18169.00 | 18169.00 | 18169.00 | 18169.00 | 18169.00 | |
| 2-AMINOPENTANEDIOIC ACID | 18037.00 | 18037.00 | 18037.00 | 18037.00 | 18037.00 | 18037.00 | 18037.00 | 18037.00 | |
| 2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-4-YL)PROPANOATE | 134402.00 | 134402.00 | 134402.00 | 134402.00 | 134402.00 | 134402.00 | 134402.00 | 134402.00 | |
| 2-AZANIUMYL-3-(1-METHYL-1H-IMIDAZOL-5-YL)PROPANOATE | 228286.00 | 228286.00 | 228286.00 | 228286.00 | 228286.00 | 228286.00 | 228286.00 | 228286.00 | |
| 2-[(CARBOXYMETHYL)AMINO]ACETIC ACID | 6891.00 | 6891.00 | 6891.00 | 6891.00 | 6891.00 | 6891.00 | 6891.00 | 6891.00 | |
| 2-(DIMETHYLAMINO)PROPAN-1-OL | 21295.00 | 21295.00 | 21295.00 | 21295.00 | 21295.00 | 21295.00 | 21295.00 | 21295.00 | |
| (2E)-3-(1H-INDOL-3-YL)PROP-2-ENOIC ACID | 3400.00 | 3400.00 | 3400.00 | 3400.00 | 3400.00 | 3400.00 | 3400.00 | 3400.00 | |
| [2-[(E)-BUT-2-ENOYL]OXY-3-CETYLOXY-PROPYL] 2-(TRIMETHYLAMMON... | 67439.00 | 67439.00 | 67439.00 | 67439.00 | 67439.00 | 67439.00 | 67439.00 | 67439.00 | |
| 2-HYDROXY-3-(1H-INDOL-3-YL)PROPANOIC ACID | 26991.00 | 26991.00 | 26991.00 | 26991.00 | 26991.00 | 26991.00 | 26991.00 | 26991.00 | |
| [2-HYDROXY-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(... | 65596.00 | 65596.00 | 65596.00 | 65596.00 | 65596.00 | 65596.00 | 65596.00 | 65596.00 | |
| 2-HYDROXYCINNAMIC ACID | 46969.00 | 46969.00 | 46969.00 | 46969.00 | 46969.00 | 46969.00 | 46969.00 | 46969.00 | |
| 2-METHOXYPYRAZINE | 4872.00 | 4872.00 | 4872.00 | 4872.00 | 4872.00 | 4872.00 | 4872.00 | 4872.00 | |
| 2-METHYLBUT-3-EN-2-OL | 6071.00 | 6071.00 | 6071.00 | 6071.00 | 6071.00 | 6071.00 | 6071.00 | 6071.00 | |
| 2-METHYLPYRROLIDINE | 10490.00 | 10490.00 | 10490.00 | 10490.00 | 10490.00 | 10490.00 | 10490.00 | 10490.00 | |
| 2-PIPERIDINONE | 26471.00 | 26471.00 | 26471.00 | 26471.00 | 26471.00 | 26471.00 | 26471.00 | 26471.00 | |
| [(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYLOXY]-3-(O... | 23939.00 | 23939.00 | 23939.00 | 23939.00 | 23939.00 | 23939.00 | 23939.00 | 23939.00 | |
| [(2R)-3-CETYLOXY-2-[[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAE... | 1566930.00 | 1566930.00 | 1566930.00 | 1566930.00 | 1566930.00 | 1566930.00 | 1566930.00 | 1566930.00 | |
| [(2R)-3-CETYLOXY-2-(METHYLCARBAMOYLOXY)PROPYL] 2-(TRIMETHYLA... | 8044.00 | 8044.00 | 8044.00 | 8044.00 | 8044.00 | 8044.00 | 8044.00 | 8044.00 | |
| (2R)-6-ACETAMIDO-2-AMINO-HEXANOIC ACID | 2830.00 | 2830.00 | 2830.00 | 2830.00 | 2830.00 | 2830.00 | 2830.00 | 2830.00 | |
| (2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-CARBAMOYLBUTANOI... | 4342.00 | 4342.00 | 4342.00 | 4342.00 | 4342.00 | 4342.00 | 4342.00 | 4342.00 | |
| (2S)-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]-4-METHYLPENTANOIC ... | 3293.00 | 3293.00 | 3293.00 | 3293.00 | 3293.00 | 3293.00 | 3293.00 | 3293.00 | |
| [(2S)-2-[(5Z,8Z,11Z,14Z)-EICOSA-5,8,11,14-TETRAENOYL]OXY-3-S... | 2388372.00 | 2388372.00 | 2388372.00 | 2388372.00 | 2388372.00 | 2388372.00 | 2388372.00 | 2388372.00 | |
| (2S)-2-AMINO-3-({HYDROXY[(2R)-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,1... | 12714.00 | 12714.00 | 12714.00 | 12714.00 | 12714.00 | 12714.00 | 12714.00 | 12714.00 | |
| (2S)-2-AMINO-3-({HYDROXY[(2R)-2-[(9Z)-OCTADEC-9-ENOYLOXY]-3-... | 8498.00 | 8498.00 | 8498.00 | 8498.00 | 8498.00 | 8498.00 | 8498.00 | 8498.00 | |
| (2S)-2-AMINO-5-ETHANIMIDAMIDOPENTANOIC ACID | 8914.00 | 8914.00 | 8914.00 | 8914.00 | 8914.00 | 8914.00 | 8914.00 | 8914.00 | |
| (2S)-2-AMINO-6-[(4S)-4-AMINO-4-CARBOXYBUTANAMIDO]HEXANOIC AC... | 4165.00 | 4165.00 | 4165.00 | 4165.00 | 4165.00 | 4165.00 | 4165.00 | 4165.00 | |
| (2S)-2-AMINO-6-(DIMETHYLAMINO)HEXANOIC ACID | 9120.00 | 9120.00 | 9120.00 | 9120.00 | 9120.00 | 9120.00 | 9120.00 | 9120.00 | |
| [(2S)-3-(HEXADECYLTHIO)-2-(1-OXOHEXADECYLAMINO)PROPYL] 2-(TR... | 55559.00 | 55559.00 | 55559.00 | 55559.00 | 55559.00 | 55559.00 | 55559.00 | 55559.00 | |
| (2S,3S)-2-AMINO-3-METHYLPENTANOIC ACID | 7804.00 | 7804.00 | 7804.00 | 7804.00 | 7804.00 | 7804.00 | 7804.00 | 7804.00 | |
| (2S,3S,4S,5R,6R)-3,4,5-TRIHYDROXY-6-[3-[(2S)-5-KETO-1-METHYL... | 5463.00 | 5463.00 | 5463.00 | 5463.00 | 5463.00 | 5463.00 | 5463.00 | 5463.00 | |
| (2S,3S,4S,5R,6S)-6-[[(1S,9R,10S)-17-METHYL-17-AZATETRACYCLO[... | 6468.00 | 6468.00 | 6468.00 | 6468.00 | 6468.00 | 6468.00 | 6468.00 | 6468.00 | |
| (2S)-4-AMINO-2-[[(2S)-2-AMINO-5-GUANIDINO-PENTANOYL]AMINO]-4... | 6970.00 | 6970.00 | 6970.00 | 6970.00 | 6970.00 | 6970.00 | 6970.00 | 6970.00 | |
| (2S)-6-AMINO-2-[(2S)-2-AMINO-4-CARBOXYBUTANAMIDO]HEXANOIC AC... | 6278.00 | 6278.00 | 6278.00 | 6278.00 | 6278.00 | 6278.00 | 6278.00 | 6278.00 | |
| 2-(TRIMETHYLAMMONIO)PROPIONATE | 6643.00 | 6643.00 | 6643.00 | 6643.00 | 6643.00 | 6643.00 | 6643.00 | 6643.00 | |
| [2-(TRIMETHYLAZANIUMYL)ETHOXY]PHOSPHONIC ACID | 3917.00 | 3917.00 | 3917.00 | 3917.00 | 3917.00 | 3917.00 | 3917.00 | 3917.00 | |
| 2-(TRIMETHYLAZANIUMYL)ETHYL CARBAMATE | 2162.00 | 2162.00 | 2162.00 | 2162.00 | 2162.00 | 2162.00 | 2162.00 | 2162.00 | |
| 3-(1H-INDOL-3-YL)-2-(TRIMETHYLAMMONIO)PROPIONATE | 65247.00 | 65247.00 | 65247.00 | 65247.00 | 65247.00 | 65247.00 | 65247.00 | 65247.00 | |
| 3-(2-PYRIMIDYL)PROPIONIC ACID | 3015.00 | 3015.00 | 3015.00 | 3015.00 | 3015.00 | 3015.00 | 3015.00 | 3015.00 | |
| 3-{[(2R)-1-CARBOXY-3-(TRIMETHYLAZANIUMYL)PROPAN-2-YL]OXY}-3-... | 7408.00 | 7408.00 | 7408.00 | 7408.00 | 7408.00 | 7408.00 | 7408.00 | 7408.00 | |
| 3,6,9,12,15,18,21,24,27-NONAOXANONACOSANE-1,29-DIOL | 5913.00 | 5913.00 | 5913.00 | 5913.00 | 5913.00 | 5913.00 | 5913.00 | 5913.00 | |
| 3-AMINOQUINOLINE | 3850.00 | 3850.00 | 3850.00 | 3850.00 | 3850.00 | 3850.00 | 3850.00 | 3850.00 | |
| (3-CARBOXYPROPYL)TRIMETHYLAZANIUM | 5463.00 | 5463.00 | 5463.00 | 5463.00 | 5463.00 | 5463.00 | 5463.00 | 5463.00 | |
| 3-(DIPHENYL-1,3-OXAZOL-2-YL)PROPANOIC ACID | 5094.00 | 5094.00 | 5094.00 | 5094.00 | 5094.00 | 5094.00 | 5094.00 | 5094.00 | |
| [3-HEXADECOXY-2-[(5Z,8Z,11Z,14Z)-ICOSA-5,8,11,14-TETRAENOYL]... | 351812.00 | 351812.00 | 351812.00 | 351812.00 | 351812.00 | 351812.00 | 351812.00 | 351812.00 | |
| [3-HEXADECOXY-2-[(8Z,11Z,14Z)-ICOSA-8,11,14-TRIENOYL]OXYPROP... | 110903.00 | 110903.00 | 110903.00 | 110903.00 | 110903.00 | 110903.00 | 110903.00 | 110903.00 | |
| [3-HYDROXY-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYL]OXY-PROPYL] 2-(... | 1375949.00 | 1375949.00 | 1375949.00 | 1375949.00 | 1375949.00 | 1375949.00 | 1375949.00 | 1375949.00 | |
| 3-METHYLADENINE | 4587.00 | 4587.00 | 4587.00 | 4587.00 | 4587.00 | 4587.00 | 4587.00 | 4587.00 | |
| 3-METHYLINDOLE | 23333.00 | 23333.00 | 23333.00 | 23333.00 | 23333.00 | 23333.00 | 23333.00 | 23333.00 | |
| (3R)-3-[(2-METHYLBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANOA... | 3752.00 | 3752.00 | 3752.00 | 3752.00 | 3752.00 | 3752.00 | 3752.00 | 3752.00 | |
| (3R)-3-[(3-HYDROXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANO... | 1830.00 | 1830.00 | 1830.00 | 1830.00 | 1830.00 | 1830.00 | 1830.00 | 1830.00 | |
| (3R)-3-[(4-CARBOXYBUTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTANO... | 14381.00 | 14381.00 | 14381.00 | 14381.00 | 14381.00 | 14381.00 | 14381.00 | 14381.00 | |
| (3R)-3-[(5-CARBOXYPENTANOYL)OXY]-4-(TRIMETHYLAZANIUMYL)BUTAN... | 7906.00 | 7906.00 | 7906.00 | 7906.00 | 7906.00 | 7906.00 | 7906.00 | 7906.00 | |
| (3R)-3-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-4-(TRIMETHYLAZANI... | 58693.00 | 58693.00 | 58693.00 | 58693.00 | 58693.00 | 58693.00 | 58693.00 | 58693.00 | |
| (3R)-3-(ACETYLOXY)-4-(TRIMETHYLAZANIUMYL)BUTANOATE | 1026497.00 | 1026497.00 | 1026497.00 | 1026497.00 | 1026497.00 | 1026497.00 | 1026497.00 | 1026497.00 | |
| (3R)-3-HYDROXY-4-(TRIMETHYLAZANIUMYL)BUTANOATE | 1950877.00 | 1950877.00 | 1950877.00 | 1950877.00 | 1950877.00 | 1950877.00 | 1950877.00 | 1950877.00 | |
| 4-(2-AMINO-1-HYDROXYETHYL)PHENOL | 87551.00 | 87551.00 | 87551.00 | 87551.00 | 87551.00 | 87551.00 | 87551.00 | 87551.00 | |
| 4-AMINOPHENOL | 1704.00 | 1704.00 | 1704.00 | 1704.00 | 1704.00 | 1704.00 | 1704.00 | 1704.00 | |
| 4-AMINOPYRIDINE | 9403.00 | 9403.00 | 9403.00 | 9403.00 | 9403.00 | 9403.00 | 9403.00 | 9403.00 | |
| 4-HYDROXYBENZALDEHYDE | 32135.00 | 32135.00 | 32135.00 | 32135.00 | 32135.00 | 32135.00 | 32135.00 | 32135.00 | |
| 4-HYDROXYCINNAMIC ACID | 16548.00 | 16548.00 | 16548.00 | 16548.00 | 16548.00 | 16548.00 | 16548.00 | 16548.00 | |
| 4-KETO-6-METHYL-1H-PYRIDINE-3-CARBOXYLIC ACID | 12520.00 | 12520.00 | 12520.00 | 12520.00 | 12520.00 | 12520.00 | 12520.00 | 12520.00 | |
| 4-METHYLBENZAMIDE | 15017.00 | 15017.00 | 15017.00 | 15017.00 | 15017.00 | 15017.00 | 15017.00 | 15017.00 | |
| 4-METHYLPYRIDINE | 18886.00 | 18886.00 | 18886.00 | 18886.00 | 18886.00 | 18886.00 | 18886.00 | 18886.00 | |
| 4-METHYLQUINOLIN-2(1H)-ONE | 4950.00 | 4950.00 | 4950.00 | 4950.00 | 4950.00 | 4950.00 | 4950.00 | 4950.00 | |
| 5-AMINO-LEVULINIC ACID | 68005.00 | 68005.00 | 68005.00 | 68005.00 | 68005.00 | 68005.00 | 68005.00 | 68005.00 | |
| (5E,9E)-6,10,14-TRIMETHYLPENTADECA-5,9,13-TRIEN-2-ONE | 9977.00 | 9977.00 | 9977.00 | 9977.00 | 9977.00 | 9977.00 | 9977.00 | 9977.00 | |
| 5-GLUTAMYL-ALANINE | 6515.00 | 6515.00 | 6515.00 | 6515.00 | 6515.00 | 6515.00 | 6515.00 | 6515.00 | |
| 5-GUANIDINO-2-[[3-METHYL-2-(PYROGLUTAMOYLAMINO)PENTANOYL]AMI... | 11978.00 | 11978.00 | 11978.00 | 11978.00 | 11978.00 | 11978.00 | 11978.00 | 11978.00 | |
| [(5S)-5-AMINO-5-CARBOXYPENTYL]TRIMETHYLAZANIUM | 115752.00 | 115752.00 | 115752.00 | 115752.00 | 115752.00 | 115752.00 | 115752.00 | 115752.00 | |
| 5-(TRIMETHYLAMMONIO)VALERATE | 17667.00 | 17667.00 | 17667.00 | 17667.00 | 17667.00 | 17667.00 | 17667.00 | 17667.00 | |
| 6-CHLORO-7H-PURINE | 3108.00 | 3108.00 | 3108.00 | 3108.00 | 3108.00 | 3108.00 | 3108.00 | 3108.00 | |
| 6-METHYLPYRIDIN-3-OL | 2609.00 | 2609.00 | 2609.00 | 2609.00 | 2609.00 | 2609.00 | 2609.00 | 2609.00 | |
| 7-METHYLGUANINE | 3285.00 | 3285.00 | 3285.00 | 3285.00 | 3285.00 | 3285.00 | 3285.00 | 3285.00 | |
| 8-[(2S,3R)-3-[(Z)-OCT-2-ENYL]OXIRAN-2-YL]CAPRYLIC ACID | 115510.00 | 115510.00 | 115510.00 | 115510.00 | 115510.00 | 115510.00 | 115510.00 | 115510.00 | |
| 8-(3-OCTYLOXIRAN-2-YL)OCTANOIC ACID | 91979.00 | 91979.00 | 91979.00 | 91979.00 | 91979.00 | 91979.00 | 91979.00 | 91979.00 | |
| ACETAMINOPHEN | 4185.00 | 4185.00 | 4185.00 | 4185.00 | 4185.00 | 4185.00 | 4185.00 | 4185.00 | |
| ADENINE | 1867.00 | 1867.00 | 1867.00 | 1867.00 | 1867.00 | 1867.00 | 1867.00 | 1867.00 | |
| ALPHA-N-PHENYLACETYLGLUTAMINE | 13173.00 | 13173.00 | 13173.00 | 13173.00 | 13173.00 | 13173.00 | 13173.00 | 13173.00 | |
| AMP | 20998.00 | 20998.00 | 20998.00 | 20998.00 | 20998.00 | 20998.00 | 20998.00 | 20998.00 | |
| ANILINE | 4936.00 | 4936.00 | 4936.00 | 4936.00 | 4936.00 | 4936.00 | 4936.00 | 4936.00 | |
| ARG GLU | 4406.00 | 4406.00 | 4406.00 | 4406.00 | 4406.00 | 4406.00 | 4406.00 | 4406.00 | |
| ARG GLY | 2033.00 | 2033.00 | 2033.00 | 2033.00 | 2033.00 | 2033.00 | 2033.00 | 2033.00 | |
| ARGININE | 121429.00 | 121429.00 | 121429.00 | 121429.00 | 121429.00 | 121429.00 | 121429.00 | 121429.00 | |
| ARG PRO PRO | 9045.00 | 9045.00 | 9045.00 | 9045.00 | 9045.00 | 9045.00 | 9045.00 | 9045.00 | |
| BETAINE | 2556950.00 | 2556950.00 | 2556950.00 | 2556950.00 | 2556950.00 | 2556950.00 | 2556950.00 | 2556950.00 | |
| BETAINE ALDEHYDE | 132782.00 | 132782.00 | 132782.00 | 132782.00 | 132782.00 | 132782.00 | 132782.00 | 132782.00 | |
| BETONICINE | 19984.00 | 19984.00 | 19984.00 | 19984.00 | 19984.00 | 19984.00 | 19984.00 | 19984.00 | |
| BRADYKININ | 32045.00 | 32045.00 | 32045.00 | 32045.00 | 32045.00 | 32045.00 | 32045.00 | 32045.00 | |
| BRADYKININ HYDROXYPROLINE | 16727.00 | 16727.00 | 16727.00 | 16727.00 | 16727.00 | 16727.00 | 16727.00 | 16727.00 | |
| CADAVERINE | 95892.00 | 95892.00 | 95892.00 | 95892.00 | 95892.00 | 95892.00 | 95892.00 | 95892.00 | |
| CAFFEINE | 22407.00 | 22407.00 | 22407.00 | 22407.00 | 22407.00 | 22407.00 | 22407.00 | 22407.00 | |
| CAR 10:0 | 11242.00 | 11242.00 | 11242.00 | 11242.00 | 11242.00 | 11242.00 | 11242.00 | 11242.00 | |
| CAR 10:1 | 23130.00 | 23130.00 | 23130.00 | 23130.00 | 23130.00 | 23130.00 | 23130.00 | 23130.00 | |
| CAR 12:0 | 3521.00 | 3521.00 | 3521.00 | 3521.00 | 3521.00 | 3521.00 | 3521.00 | 3521.00 | |
| CAR 14:0 | 3699.00 | 3699.00 | 3699.00 | 3699.00 | 3699.00 | 3699.00 | 3699.00 | 3699.00 | |
| CAR 16:0 | 29639.00 | 29639.00 | 29639.00 | 29639.00 | 29639.00 | 29639.00 | 29639.00 | 29639.00 | |
| CAR 18:0 | 25661.00 | 25661.00 | 25661.00 | 25661.00 | 25661.00 | 25661.00 | 25661.00 | 25661.00 | |
| CAR 3:0 | 30873.00 | 30873.00 | 30873.00 | 30873.00 | 30873.00 | 30873.00 | 30873.00 | 30873.00 | |
| CAR 4:0 | 38056.00 | 38056.00 | 38056.00 | 38056.00 | 38056.00 | 38056.00 | 38056.00 | 38056.00 | |
| CAR(4:0(3ME)) | 37934.00 | 37934.00 | 37934.00 | 37934.00 | 37934.00 | 37934.00 | 37934.00 | 37934.00 | |
| CAR 6:0 | 12688.00 | 12688.00 | 12688.00 | 12688.00 | 12688.00 | 12688.00 | 12688.00 | 12688.00 | |
| CAR 8:0 | 56425.00 | 56425.00 | 56425.00 | 56425.00 | 56425.00 | 56425.00 | 56425.00 | 56425.00 | |
| CAR 8:1 | 70069.00 | 70069.00 | 70069.00 | 70069.00 | 70069.00 | 70069.00 | 70069.00 | 70069.00 | |
| CARBAMAZEPINE | 7251.00 | 7251.00 | 7251.00 | 7251.00 | 7251.00 | 7251.00 | 7251.00 | 7251.00 | |
| CER 40:1;2 | 1194.00 | 1194.00 | 1194.00 | 1194.00 | 1194.00 | 1194.00 | 1194.00 | 1194.00 | |
| CER 42:1;2 | 1082540.00 | 1082540.00 | 1082540.00 | 1082540.00 | 1082540.00 | 1082540.00 | 1082540.00 | 1082540.00 | |
| CER 42:2;2 | 629136.00 | 629136.00 | 629136.00 | 629136.00 | 629136.00 | 629136.00 | 629136.00 | 629136.00 | |
| CHOLESTEROL | 1416908.00 | 1416908.00 | 1416908.00 | 1416908.00 | 1416908.00 | 1416908.00 | 1416908.00 | 1416908.00 | |
| CHOLINE | 221764.00 | 221764.00 | 221764.00 | 221764.00 | 221764.00 | 221764.00 | 221764.00 | 221764.00 | |
| CHOLINE PHOSPHATE | 9261.00 | 9261.00 | 9261.00 | 9261.00 | 9261.00 | 9261.00 | 9261.00 | 9261.00 | |
| CITRULLINE | 74326.00 | 74326.00 | 74326.00 | 74326.00 | 74326.00 | 74326.00 | 74326.00 | 74326.00 | |
| CORTISOL | 7588.00 | 7588.00 | 7588.00 | 7588.00 | 7588.00 | 7588.00 | 7588.00 | 7588.00 | |
| COTININE | 19524.00 | 19524.00 | 19524.00 | 19524.00 | 19524.00 | 19524.00 | 19524.00 | 19524.00 | |
| CREATINE | 255481.00 | 255481.00 | 255481.00 | 255481.00 | 255481.00 | 255481.00 | 255481.00 | 255481.00 | |
| CREATININE | 26925.00 | 26925.00 | 26925.00 | 26925.00 | 26925.00 | 26925.00 | 26925.00 | 26925.00 | |
| CYSTEINE | 2471.00 | 2471.00 | 2471.00 | 2471.00 | 2471.00 | 2471.00 | 2471.00 | 2471.00 | |
| CYTIDINE 5^-DIPHOSPHOCHOLINE | 3579.00 | 3579.00 | 3579.00 | 3579.00 | 3579.00 | 3579.00 | 3579.00 | 3579.00 | |
| CYTOSINE | 2522.00 | 2522.00 | 2522.00 | 2522.00 | 2522.00 | 2522.00 | 2522.00 | 2522.00 | |
| DIHYDROTHYMINE | 4476.00 | 4476.00 | 4476.00 | 4476.00 | 4476.00 | 4476.00 | 4476.00 | 4476.00 | |
| DIMETHYLARGININE | 126123.00 | 126123.00 | 126123.00 | 126123.00 | 126123.00 | 126123.00 | 126123.00 | 126123.00 | |
| [(E)-3-HYDROXY-2-STEARAMIDO-OCTADEC-4-ENYL] 2-(TRIMETHYLAMMO... | 243533.00 | 243533.00 | 243533.00 | 243533.00 | 243533.00 | 243533.00 | 243533.00 | 243533.00 | |
| ECTOINE | 9875.00 | 9875.00 | 9875.00 | 9875.00 | 9875.00 | 9875.00 | 9875.00 | 9875.00 | |
| EDETIC ACID | 4658572.00 | 4658572.00 | 4658572.00 | 4658572.00 | 4658572.00 | 4658572.00 | 4658572.00 | 4658572.00 | |
| ERGOTHIONEINE | 7137.00 | 7137.00 | 7137.00 | 7137.00 | 7137.00 | 7137.00 | 7137.00 | 7137.00 | |
| FOSINOPRIL | 34439.00 | 34439.00 | 34439.00 | 34439.00 | 34439.00 | 34439.00 | 34439.00 | 34439.00 | |
| GAMMA-LINOLENYL CARNITINE | 4006.00 | 4006.00 | 4006.00 | 4006.00 | 4006.00 | 4006.00 | 4006.00 | 4006.00 | |
| GLUTAMIC ACID | 21619.00 | 21619.00 | 21619.00 | 21619.00 | 21619.00 | 21619.00 | 21619.00 | 21619.00 | |
| GLUTAMINE | 336659.00 | 336659.00 | 336659.00 | 336659.00 | 336659.00 | 336659.00 | 336659.00 | 336659.00 | |
| GLU THR ARG | 7174.00 | 7174.00 | 7174.00 | 7174.00 | 7174.00 | 7174.00 | 7174.00 | 7174.00 | |
| GLU VAL | 10016.00 | 10016.00 | 10016.00 | 10016.00 | 10016.00 | 10016.00 | 10016.00 | 10016.00 | |
| GLYCOCHOLIC ACID | 3081.00 | 3081.00 | 3081.00 | 3081.00 | 3081.00 | 3081.00 | 3081.00 | 3081.00 | |
| GLYCOURSODEOXYCHOLIC ACID | 25561.00 | 25561.00 | 25561.00 | 25561.00 | 25561.00 | 25561.00 | 25561.00 | 25561.00 | |
| GM3 D34:1 | 10358.00 | 10358.00 | 10358.00 | 10358.00 | 10358.00 | 10358.00 | 10358.00 | 10358.00 | |
| HEX3CER 18:1;2O/16:0 | 8264.00 | 8264.00 | 8264.00 | 8264.00 | 8264.00 | 8264.00 | 8264.00 | 8264.00 | |
| HEXAETHYLENE GLYCOL | 15299.00 | 15299.00 | 15299.00 | 15299.00 | 15299.00 | 15299.00 | 15299.00 | 15299.00 | |
| HEXCER 33:2;3 | 16125.00 | 16125.00 | 16125.00 | 16125.00 | 16125.00 | 16125.00 | 16125.00 | 16125.00 | |
| HIS ALA | 21916.00 | 21916.00 | 21916.00 | 21916.00 | 21916.00 | 21916.00 | 21916.00 | 21916.00 | |
| HIS-GLU | 2126.00 | 2126.00 | 2126.00 | 2126.00 | 2126.00 | 2126.00 | 2126.00 | 2126.00 | |
| HIS LEU | 4329.00 | 4329.00 | 4329.00 | 4329.00 | 4329.00 | 4329.00 | 4329.00 | 4329.00 | |
| HISTAMINE | 19908.00 | 19908.00 | 19908.00 | 19908.00 | 19908.00 | 19908.00 | 19908.00 | 19908.00 | |
| HISTIDINE | 384527.00 | 384527.00 | 384527.00 | 384527.00 | 384527.00 | 384527.00 | 384527.00 | 384527.00 | |
| HOMOARGININE | 37640.00 | 37640.00 | 37640.00 | 37640.00 | 37640.00 | 37640.00 | 37640.00 | 37640.00 | |
| HYPOXANTHINE | 113753.00 | 113753.00 | 113753.00 | 113753.00 | 113753.00 | 113753.00 | 113753.00 | 113753.00 | |
| INDOLE | 23126.00 | 23126.00 | 23126.00 | 23126.00 | 23126.00 | 23126.00 | 23126.00 | 23126.00 | |
| KYNURENIC ACID | 3899.00 | 3899.00 | 3899.00 | 3899.00 | 3899.00 | 3899.00 | 3899.00 | 3899.00 | |
| KYOTORPHIN | 8536.00 | 8536.00 | 8536.00 | 8536.00 | 8536.00 | 8536.00 | 8536.00 | 8536.00 | |
| LACCER D40:1 | 4933.00 | 4933.00 | 4933.00 | 4933.00 | 4933.00 | 4933.00 | 4933.00 | 4933.00 | |
| L-ARGINYL-L-PHENYLALANINE | 3883.00 | 3883.00 | 3883.00 | 3883.00 | 3883.00 | 3883.00 | 3883.00 | 3883.00 | |
| L-ARGINYL-L-PROLINE | 2236.00 | 2236.00 | 2236.00 | 2236.00 | 2236.00 | 2236.00 | 2236.00 | 2236.00 | |
| L-CYSTINE | 7718.00 | 7718.00 | 7718.00 | 7718.00 | 7718.00 | 7718.00 | 7718.00 | 7718.00 | |
| LEUCINE | 5382.00 | 5382.00 | 5382.00 | 5382.00 | 5382.00 | 5382.00 | 5382.00 | 5382.00 | |
| L-ISOLEUCYL-L-ARGININE | 19941.00 | 19941.00 | 19941.00 | 19941.00 | 19941.00 | 19941.00 | 19941.00 | 19941.00 | |
| L-METHIONINE S-OXIDE | 1041.00 | 1041.00 | 1041.00 | 1041.00 | 1041.00 | 1041.00 | 1041.00 | 1041.00 | |
| LPC 14:0 | 327310.00 | 327310.00 | 327310.00 | 327310.00 | 327310.00 | 327310.00 | 327310.00 | 327310.00 | |
| LPC 15:1 | 9496.00 | 9496.00 | 9496.00 | 9496.00 | 9496.00 | 9496.00 | 9496.00 | 9496.00 | |
| LPC 16:0 | 18529596.00 | 18529596.00 | 18529596.00 | 18529596.00 | 18529596.00 | 18529596.00 | 18529596.00 | 18529596.00 | |
| LPC 16:1 | 242321.00 | 242321.00 | 242321.00 | 242321.00 | 242321.00 | 242321.00 | 242321.00 | 242321.00 | |
| LPC 16:2 | 9817.00 | 9817.00 | 9817.00 | 9817.00 | 9817.00 | 9817.00 | 9817.00 | 9817.00 | |
| LPC 17:1 | 6193.00 | 6193.00 | 6193.00 | 6193.00 | 6193.00 | 6193.00 | 6193.00 | 6193.00 | |
| LPC 19:0 | 9013.00 | 9013.00 | 9013.00 | 9013.00 | 9013.00 | 9013.00 | 9013.00 | 9013.00 | |
| LPC 19:1 | 24197.00 | 24197.00 | 24197.00 | 24197.00 | 24197.00 | 24197.00 | 24197.00 | 24197.00 | |
| LPC 20:1 | 8977.00 | 8977.00 | 8977.00 | 8977.00 | 8977.00 | 8977.00 | 8977.00 | 8977.00 | |
| LPC 20:2 | 78768.00 | 78768.00 | 78768.00 | 78768.00 | 78768.00 | 78768.00 | 78768.00 | 78768.00 | |
| LPC 20:4 | 9162.00 | 9162.00 | 9162.00 | 9162.00 | 9162.00 | 9162.00 | 9162.00 | 9162.00 | |
| LPC 21:2 | 6251.00 | 6251.00 | 6251.00 | 6251.00 | 6251.00 | 6251.00 | 6251.00 | 6251.00 | |
| LPC 22:3 | 11711.00 | 11711.00 | 11711.00 | 11711.00 | 11711.00 | 11711.00 | 11711.00 | 11711.00 | |
| LPC 22:4 | 58287.00 | 58287.00 | 58287.00 | 58287.00 | 58287.00 | 58287.00 | 58287.00 | 58287.00 | |
| LPC 22:5 | 69143.00 | 69143.00 | 69143.00 | 69143.00 | 69143.00 | 69143.00 | 69143.00 | 69143.00 | |
| LPC 22:6 | 184802.00 | 184802.00 | 184802.00 | 184802.00 | 184802.00 | 184802.00 | 184802.00 | 184802.00 | |
| LPC 30:1 | 7346.00 | 7346.00 | 7346.00 | 7346.00 | 7346.00 | 7346.00 | 7346.00 | 7346.00 | |
| LPC 40:7 | 7236.00 | 7236.00 | 7236.00 | 7236.00 | 7236.00 | 7236.00 | 7236.00 | 7236.00 | |
| LPC 42:9 | 4590.00 | 4590.00 | 4590.00 | 4590.00 | 4590.00 | 4590.00 | 4590.00 | 4590.00 | |
| LPC O-13:0 | 5833.00 | 5833.00 | 5833.00 | 5833.00 | 5833.00 | 5833.00 | 5833.00 | 5833.00 | |
| LPC O-16:0 | 314259.00 | 314259.00 | 314259.00 | 314259.00 | 314259.00 | 314259.00 | 314259.00 | 314259.00 | |
| LPC O-17:1 | 13516.00 | 13516.00 | 13516.00 | 13516.00 | 13516.00 | 13516.00 | 13516.00 | 13516.00 | |
| LPC O-17:2 | 7674.00 | 7674.00 | 7674.00 | 7674.00 | 7674.00 | 7674.00 | 7674.00 | 7674.00 | |
| LPC O-18:0 | 54644.00 | 54644.00 | 54644.00 | 54644.00 | 54644.00 | 54644.00 | 54644.00 | 54644.00 | |
| LPC O-18:1 | 54501.00 | 54501.00 | 54501.00 | 54501.00 | 54501.00 | 54501.00 | 54501.00 | 54501.00 | |
| LPC O-18:2 | 12023.00 | 12023.00 | 12023.00 | 12023.00 | 12023.00 | 12023.00 | 12023.00 | 12023.00 | |
| LPC O-20:0 | 27531.00 | 27531.00 | 27531.00 | 27531.00 | 27531.00 | 27531.00 | 27531.00 | 27531.00 | |
| LPC O-20:1 | 20768.00 | 20768.00 | 20768.00 | 20768.00 | 20768.00 | 20768.00 | 20768.00 | 20768.00 | |
| LPC O-22:0 | 13970.00 | 13970.00 | 13970.00 | 13970.00 | 13970.00 | 13970.00 | 13970.00 | 13970.00 | |
| LPC O-22:2 | 13946.00 | 13946.00 | 13946.00 | 13946.00 | 13946.00 | 13946.00 | 13946.00 | 13946.00 | |
| LPC O-24:2 | 10120.00 | 10120.00 | 10120.00 | 10120.00 | 10120.00 | 10120.00 | 10120.00 | 10120.00 | |
| L-PHENYLALANYL-L-ARGININE | 39682.00 | 39682.00 | 39682.00 | 39682.00 | 39682.00 | 39682.00 | 39682.00 | 39682.00 | |
| L-PHENYLALANYL-L-LYSINE | 3852.00 | 3852.00 | 3852.00 | 3852.00 | 3852.00 | 3852.00 | 3852.00 | 3852.00 | |
| L-PROLINAMIDE | 10452.00 | 10452.00 | 10452.00 | 10452.00 | 10452.00 | 10452.00 | 10452.00 | 10452.00 | |
| LYSINE | 167620.00 | 167620.00 | 167620.00 | 167620.00 | 167620.00 | 167620.00 | 167620.00 | 167620.00 | |
| MET-ALA | 6659.00 | 6659.00 | 6659.00 | 6659.00 | 6659.00 | 6659.00 | 6659.00 | 6659.00 | |
| METFORMIN | 8612.00 | 8612.00 | 8612.00 | 8612.00 | 8612.00 | 8612.00 | 8612.00 | 8612.00 | |
| METHIONINE | 6512.00 | 6512.00 | 6512.00 | 6512.00 | 6512.00 | 6512.00 | 6512.00 | 6512.00 | |
| N1-ACETYLSPERMIDINE | 10432.00 | 10432.00 | 10432.00 | 10432.00 | 10432.00 | 10432.00 | 10432.00 | 10432.00 | |
| N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE | 47059.00 | 47059.00 | 47059.00 | 47059.00 | 47059.00 | 47059.00 | 47059.00 | 47059.00 | |
| N1,N12-DIACETYLSPERMINE | 3049.00 | 3049.00 | 3049.00 | 3049.00 | 3049.00 | 3049.00 | 3049.00 | 3049.00 | |
| N-(3-HYDROXYPHENYL)ACETAMIDE | 11504.00 | 11504.00 | 11504.00 | 11504.00 | 11504.00 | 11504.00 | 11504.00 | 11504.00 | |
| N(6)-METHYLLYSINE | 33626.00 | 33626.00 | 33626.00 | 33626.00 | 33626.00 | 33626.00 | 33626.00 | 33626.00 | |
| N8-ACETYLSPERMIDINE | 5379.00 | 5379.00 | 5379.00 | 5379.00 | 5379.00 | 5379.00 | 5379.00 | 5379.00 | |
| N-ACETYLARGININE | 9528.00 | 9528.00 | 9528.00 | 9528.00 | 9528.00 | 9528.00 | 9528.00 | 9528.00 | |
| N-ACETYLCARNOSINE | 19083.00 | 19083.00 | 19083.00 | 19083.00 | 19083.00 | 19083.00 | 19083.00 | 19083.00 | |
| NIACINAMIDE | 49836.00 | 49836.00 | 49836.00 | 49836.00 | 49836.00 | 49836.00 | 49836.00 | 49836.00 | |
| N-METHYL-7H-PURIN-6-AMINE | 3641.00 | 3641.00 | 3641.00 | 3641.00 | 3641.00 | 3641.00 | 3641.00 | 3641.00 | |
| N-METHYLHYDANTOIN | 3683.00 | 3683.00 | 3683.00 | 3683.00 | 3683.00 | 3683.00 | 3683.00 | 3683.00 | |
| P-ACETAMIDOPHENYLGLUCURONIDE | 12245.00 | 12245.00 | 12245.00 | 12245.00 | 12245.00 | 12245.00 | 12245.00 | 12245.00 | |
| PARAXANTHINE | 32269.00 | 32269.00 | 32269.00 | 32269.00 | 32269.00 | 32269.00 | 32269.00 | 32269.00 | |
| PC 36:4 | 16246.00 | 16246.00 | 16246.00 | 16246.00 | 16246.00 | 16246.00 | 16246.00 | 16246.00 | |
| PC O-28:7 | 13158.00 | 13158.00 | 13158.00 | 13158.00 | 13158.00 | 13158.00 | 13158.00 | 13158.00 | |
| PC O-29:1 | 7818.00 | 7818.00 | 7818.00 | 7818.00 | 7818.00 | 7818.00 | 7818.00 | 7818.00 | |
| PC O-30:1 | 21705.00 | 21705.00 | 21705.00 | 21705.00 | 21705.00 | 21705.00 | 21705.00 | 21705.00 | |
| PC O-31:1 | 5134.00 | 5134.00 | 5134.00 | 5134.00 | 5134.00 | 5134.00 | 5134.00 | 5134.00 | |
| PC O-31:2 | 83480.00 | 83480.00 | 83480.00 | 83480.00 | 83480.00 | 83480.00 | 83480.00 | 83480.00 | |
| PC O-32:0 | 23001.00 | 23001.00 | 23001.00 | 23001.00 | 23001.00 | 23001.00 | 23001.00 | 23001.00 | |
| PC O-32:1 | 12907.00 | 12907.00 | 12907.00 | 12907.00 | 12907.00 | 12907.00 | 12907.00 | 12907.00 | |
| PC O-32:2 | 4891.00 | 4891.00 | 4891.00 | 4891.00 | 4891.00 | 4891.00 | 4891.00 | 4891.00 | |
| PC O-33:0 | 5636.00 | 5636.00 | 5636.00 | 5636.00 | 5636.00 | 5636.00 | 5636.00 | 5636.00 | |
| PC O-33:1 | 49297.00 | 49297.00 | 49297.00 | 49297.00 | 49297.00 | 49297.00 | 49297.00 | 49297.00 | |
| PC O-33:2 | 61033.00 | 61033.00 | 61033.00 | 61033.00 | 61033.00 | 61033.00 | 61033.00 | 61033.00 | |
| PC O-33:3 | 15909.00 | 15909.00 | 15909.00 | 15909.00 | 15909.00 | 15909.00 | 15909.00 | 15909.00 | |
| PC O-34:1 | 7361.00 | 7361.00 | 7361.00 | 7361.00 | 7361.00 | 7361.00 | 7361.00 | 7361.00 | |
| PC O-34:3 | 26684.00 | 26684.00 | 26684.00 | 26684.00 | 26684.00 | 26684.00 | 26684.00 | 26684.00 | |
| PC O-35:1 | 136591.00 | 136591.00 | 136591.00 | 136591.00 | 136591.00 | 136591.00 | 136591.00 | 136591.00 | |
| PC O-35:3 | 45107.00 | 45107.00 | 45107.00 | 45107.00 | 45107.00 | 45107.00 | 45107.00 | 45107.00 | |
| PC O-36:1 | 31991.00 | 31991.00 | 31991.00 | 31991.00 | 31991.00 | 31991.00 | 31991.00 | 31991.00 | |
| PC O-36:2 | 30254.00 | 30254.00 | 30254.00 | 30254.00 | 30254.00 | 30254.00 | 30254.00 | 30254.00 | |
| PC O-36:6 | 15304.00 | 15304.00 | 15304.00 | 15304.00 | 15304.00 | 15304.00 | 15304.00 | 15304.00 | |
| PC O-37:1 | 54183.00 | 54183.00 | 54183.00 | 54183.00 | 54183.00 | 54183.00 | 54183.00 | 54183.00 | |
| PC O-37:2 | 63698.00 | 63698.00 | 63698.00 | 63698.00 | 63698.00 | 63698.00 | 63698.00 | 63698.00 | |
| PC O-37:3 | 21610.00 | 21610.00 | 21610.00 | 21610.00 | 21610.00 | 21610.00 | 21610.00 | 21610.00 | |
| PC O-37:4 | 9874.00 | 9874.00 | 9874.00 | 9874.00 | 9874.00 | 9874.00 | 9874.00 | 9874.00 | |
| PC O-37:6 | 8072.00 | 8072.00 | 8072.00 | 8072.00 | 8072.00 | 8072.00 | 8072.00 | 8072.00 | |
| PC O-38:1 | 31137.00 | 31137.00 | 31137.00 | 31137.00 | 31137.00 | 31137.00 | 31137.00 | 31137.00 | |
| PC O-38:2 | 22735.00 | 22735.00 | 22735.00 | 22735.00 | 22735.00 | 22735.00 | 22735.00 | 22735.00 | |
| PC O-38:3 | 47491.00 | 47491.00 | 47491.00 | 47491.00 | 47491.00 | 47491.00 | 47491.00 | 47491.00 | |
| PC O-38:7 | 57323.00 | 57323.00 | 57323.00 | 57323.00 | 57323.00 | 57323.00 | 57323.00 | 57323.00 | |
| PC O-39:1 | 172338.00 | 172338.00 | 172338.00 | 172338.00 | 172338.00 | 172338.00 | 172338.00 | 172338.00 | |
| PC O-39:2 | 307392.00 | 307392.00 | 307392.00 | 307392.00 | 307392.00 | 307392.00 | 307392.00 | 307392.00 | |
| PC O-39:3 | 325885.00 | 325885.00 | 325885.00 | 325885.00 | 325885.00 | 325885.00 | 325885.00 | 325885.00 | |
| PC O-39:4 | 93146.00 | 93146.00 | 93146.00 | 93146.00 | 93146.00 | 93146.00 | 93146.00 | 93146.00 | |
| PC O-39:5 | 627252.00 | 627252.00 | 627252.00 | 627252.00 | 627252.00 | 627252.00 | 627252.00 | 627252.00 | |
| PC O-39:8 | 28024.00 | 28024.00 | 28024.00 | 28024.00 | 28024.00 | 28024.00 | 28024.00 | 28024.00 | |
| PC O-40:0 | 10130.00 | 10130.00 | 10130.00 | 10130.00 | 10130.00 | 10130.00 | 10130.00 | 10130.00 | |
| PC O-40:1 | 21898.00 | 21898.00 | 21898.00 | 21898.00 | 21898.00 | 21898.00 | 21898.00 | 21898.00 | |
| PC O-40:2 | 31585.00 | 31585.00 | 31585.00 | 31585.00 | 31585.00 | 31585.00 | 31585.00 | 31585.00 | |
| PC O-40:3 | 11160.00 | 11160.00 | 11160.00 | 11160.00 | 11160.00 | 11160.00 | 11160.00 | 11160.00 | |
| PC O-40:4 | 64463.00 | 64463.00 | 64463.00 | 64463.00 | 64463.00 | 64463.00 | 64463.00 | 64463.00 | |
| PC O-40:5 | 14396.00 | 14396.00 | 14396.00 | 14396.00 | 14396.00 | 14396.00 | 14396.00 | 14396.00 | |
| PC O-40:6 | 8473.00 | 8473.00 | 8473.00 | 8473.00 | 8473.00 | 8473.00 | 8473.00 | 8473.00 | |
| PC O-40:8 | 46405.00 | 46405.00 | 46405.00 | 46405.00 | 46405.00 | 46405.00 | 46405.00 | 46405.00 | |
| PC O-41:2 | 9916.00 | 9916.00 | 9916.00 | 9916.00 | 9916.00 | 9916.00 | 9916.00 | 9916.00 | |
| PC O-41:4 | 26696.00 | 26696.00 | 26696.00 | 26696.00 | 26696.00 | 26696.00 | 26696.00 | 26696.00 | |
| PC O-41:5 | 131256.00 | 131256.00 | 131256.00 | 131256.00 | 131256.00 | 131256.00 | 131256.00 | 131256.00 | |
| PC O-41:7 | 7761.00 | 7761.00 | 7761.00 | 7761.00 | 7761.00 | 7761.00 | 7761.00 | 7761.00 | |
| PC O-41:8 | 6768.00 | 6768.00 | 6768.00 | 6768.00 | 6768.00 | 6768.00 | 6768.00 | 6768.00 | |
| PC O-42:3 | 14818.00 | 14818.00 | 14818.00 | 14818.00 | 14818.00 | 14818.00 | 14818.00 | 14818.00 | |
| PC O-42:4 | 20044.00 | 20044.00 | 20044.00 | 20044.00 | 20044.00 | 20044.00 | 20044.00 | 20044.00 | |
| PC O-42:5 | 8679.00 | 8679.00 | 8679.00 | 8679.00 | 8679.00 | 8679.00 | 8679.00 | 8679.00 | |
| PC O-42:6 | 43583.00 | 43583.00 | 43583.00 | 43583.00 | 43583.00 | 43583.00 | 43583.00 | 43583.00 | |
| PC O-42:7 | 20129.00 | 20129.00 | 20129.00 | 20129.00 | 20129.00 | 20129.00 | 20129.00 | 20129.00 | |
| PC O-43:8 | 5490.00 | 5490.00 | 5490.00 | 5490.00 | 5490.00 | 5490.00 | 5490.00 | 5490.00 | |
| PC O-43:9 | 9523.00 | 9523.00 | 9523.00 | 9523.00 | 9523.00 | 9523.00 | 9523.00 | 9523.00 | |
| PC O-44:5 | 18695.00 | 18695.00 | 18695.00 | 18695.00 | 18695.00 | 18695.00 | 18695.00 | 18695.00 | |
| PC O-44:8 | 10232.00 | 10232.00 | 10232.00 | 10232.00 | 10232.00 | 10232.00 | 10232.00 | 10232.00 | |
| PE 36:3 | 11062.00 | 11062.00 | 11062.00 | 11062.00 | 11062.00 | 11062.00 | 11062.00 | 11062.00 | |
| PE O-34:3 | 26458.00 | 26458.00 | 26458.00 | 26458.00 | 26458.00 | 26458.00 | 26458.00 | 26458.00 | |
| PE O-35:3 | 4792.00 | 4792.00 | 4792.00 | 4792.00 | 4792.00 | 4792.00 | 4792.00 | 4792.00 | |
| PE O-36:4 | 60440.00 | 60440.00 | 60440.00 | 60440.00 | 60440.00 | 60440.00 | 60440.00 | 60440.00 | |
| PE O-36:5 | 88265.00 | 88265.00 | 88265.00 | 88265.00 | 88265.00 | 88265.00 | 88265.00 | 88265.00 | |
| PE O-38:6 | 161576.00 | 161576.00 | 161576.00 | 161576.00 | 161576.00 | 161576.00 | 161576.00 | 161576.00 | |
| PE O-38:7 | 77325.00 | 77325.00 | 77325.00 | 77325.00 | 77325.00 | 77325.00 | 77325.00 | 77325.00 | |
| PE O-40:7 | 84148.00 | 84148.00 | 84148.00 | 84148.00 | 84148.00 | 84148.00 | 84148.00 | 84148.00 | |
| PHENYLALANINE | 20730.00 | 20730.00 | 20730.00 | 20730.00 | 20730.00 | 20730.00 | 20730.00 | 20730.00 | |
| PI 34:1 | 12581.00 | 12581.00 | 12581.00 | 12581.00 | 12581.00 | 12581.00 | 12581.00 | 12581.00 | |
| PI 34:2 | 14808.00 | 14808.00 | 14808.00 | 14808.00 | 14808.00 | 14808.00 | 14808.00 | 14808.00 | |
| PI 36:4 | 10013.00 | 10013.00 | 10013.00 | 10013.00 | 10013.00 | 10013.00 | 10013.00 | 10013.00 | |
| PI 38:3 | 11953.00 | 11953.00 | 11953.00 | 11953.00 | 11953.00 | 11953.00 | 11953.00 | 11953.00 | |
| PI-CER 39:4;3O | 5920.00 | 5920.00 | 5920.00 | 5920.00 | 5920.00 | 5920.00 | 5920.00 | 5920.00 | |
| PI-CER 41:3;3O | 7172.00 | 7172.00 | 7172.00 | 7172.00 | 7172.00 | 7172.00 | 7172.00 | 7172.00 | |
| PI-CER 41:4;3O | 5766.00 | 5766.00 | 5766.00 | 5766.00 | 5766.00 | 5766.00 | 5766.00 | 5766.00 | |
| PIPECOLIC ACID | 9191.00 | 9191.00 | 9191.00 | 9191.00 | 9191.00 | 9191.00 | 9191.00 | 9191.00 | |
| PIPERIDINE-3-CARBOXYLIC ACID | 6062.00 | 6062.00 | 6062.00 | 6062.00 | 6062.00 | 6062.00 | 6062.00 | 6062.00 | |
| PIPERINE | 12143.00 | 12143.00 | 12143.00 | 12143.00 | 12143.00 | 12143.00 | 12143.00 | 12143.00 | |
| PRO-HYDROXYPRO | 19250.00 | 19250.00 | 19250.00 | 19250.00 | 19250.00 | 19250.00 | 19250.00 | 19250.00 | |
| PROLINE | 241145.00 | 241145.00 | 241145.00 | 241145.00 | 241145.00 | 241145.00 | 241145.00 | 241145.00 | |
| PROPANE-1,3-DIOL | 960.00 | 960.00 | 960.00 | 960.00 | 960.00 | 960.00 | 960.00 | 960.00 | |
| PYROGLUTAMIC ACID | 21769.00 | 21769.00 | 21769.00 | 21769.00 | 21769.00 | 21769.00 | 21769.00 | 21769.00 | |
| PYRROLIDINE-1-CARBOXAMIDINE | 1985.00 | 1985.00 | 1985.00 | 1985.00 | 1985.00 | 1985.00 | 1985.00 | 1985.00 | |
| QUINOLIN-4-OL | 5515.00 | 5515.00 | 5515.00 | 5515.00 | 5515.00 | 5515.00 | 5515.00 | 5515.00 | |
| QUINOLIN-5-OL | 9995.00 | 9995.00 | 9995.00 | 9995.00 | 9995.00 | 9995.00 | 9995.00 | 9995.00 | |
| S-ADENOSYLHOMOCYSTEINE | 7328.00 | 7328.00 | 7328.00 | 7328.00 | 7328.00 | 7328.00 | 7328.00 | 7328.00 | |
| SER ARG | 5610.00 | 5610.00 | 5610.00 | 5610.00 | 5610.00 | 5610.00 | 5610.00 | 5610.00 | |
| SER ASP LYS PRO | 8386.00 | 8386.00 | 8386.00 | 8386.00 | 8386.00 | 8386.00 | 8386.00 | 8386.00 | |
| (S)-HOMOSTACHYDRINE | 24475.00 | 24475.00 | 24475.00 | 24475.00 | 24475.00 | 24475.00 | 24475.00 | 24475.00 | |
| SM 30:1;2 | 20562.00 | 20562.00 | 20562.00 | 20562.00 | 20562.00 | 20562.00 | 20562.00 | 20562.00 | |
| SM 34:1;2 | 1324256.00 | 1324256.00 | 1324256.00 | 1324256.00 | 1324256.00 | 1324256.00 | 1324256.00 | 1324256.00 | |
| SM 35:0;2 | 11663.00 | 11663.00 | 11663.00 | 11663.00 | 11663.00 | 11663.00 | 11663.00 | 11663.00 | |
| SM 35:1;2 | 15109.00 | 15109.00 | 15109.00 | 15109.00 | 15109.00 | 15109.00 | 15109.00 | 15109.00 | |
| SM 35:4;3 | 5635.00 | 5635.00 | 5635.00 | 5635.00 | 5635.00 | 5635.00 | 5635.00 | 5635.00 | |
| SM 36:0;2 | 66862.00 | 66862.00 | 66862.00 | 66862.00 | 66862.00 | 66862.00 | 66862.00 | 66862.00 | |
| SM 36:2;2 | 104267.00 | 104267.00 | 104267.00 | 104267.00 | 104267.00 | 104267.00 | 104267.00 | 104267.00 | |
| SM 37:0;2 | 36145.00 | 36145.00 | 36145.00 | 36145.00 | 36145.00 | 36145.00 | 36145.00 | 36145.00 | |
| SM 37:1;2 | 22388.00 | 22388.00 | 22388.00 | 22388.00 | 22388.00 | 22388.00 | 22388.00 | 22388.00 | |
| SM 37:2;2 | 5016.00 | 5016.00 | 5016.00 | 5016.00 | 5016.00 | 5016.00 | 5016.00 | 5016.00 | |
| SM 37:4;3 | 15904.00 | 15904.00 | 15904.00 | 15904.00 | 15904.00 | 15904.00 | 15904.00 | 15904.00 | |
| SM 38:1;2 | 252827.00 | 252827.00 | 252827.00 | 252827.00 | 252827.00 | 252827.00 | 252827.00 | 252827.00 | |
| SM 38:2;2 | 133046.00 | 133046.00 | 133046.00 | 133046.00 | 133046.00 | 133046.00 | 133046.00 | 133046.00 | |
| SM 38:3;2 | 11097.00 | 11097.00 | 11097.00 | 11097.00 | 11097.00 | 11097.00 | 11097.00 | 11097.00 | |
| SM 39:1;2 | 44014.00 | 44014.00 | 44014.00 | 44014.00 | 44014.00 | 44014.00 | 44014.00 | 44014.00 | |
| SM 39:2;2 | 52734.00 | 52734.00 | 52734.00 | 52734.00 | 52734.00 | 52734.00 | 52734.00 | 52734.00 | |
| SM 39:3;2 | 130214.00 | 130214.00 | 130214.00 | 130214.00 | 130214.00 | 130214.00 | 130214.00 | 130214.00 | |
| SM 39:4;2 | 10260.00 | 10260.00 | 10260.00 | 10260.00 | 10260.00 | 10260.00 | 10260.00 | 10260.00 | |
| SM 39:4;3 | 14677.00 | 14677.00 | 14677.00 | 14677.00 | 14677.00 | 14677.00 | 14677.00 | 14677.00 | |
| SM 39:7;2 | 170523.00 | 170523.00 | 170523.00 | 170523.00 | 170523.00 | 170523.00 | 170523.00 | 170523.00 | |
| SM 39:8;2 | 2273873.00 | 2273873.00 | 2273873.00 | 2273873.00 | 2273873.00 | 2273873.00 | 2273873.00 | 2273873.00 | |
| SM 39:9;2 | 110727.00 | 110727.00 | 110727.00 | 110727.00 | 110727.00 | 110727.00 | 110727.00 | 110727.00 | |
| SM 40:1;2 | 2227584.00 | 2227584.00 | 2227584.00 | 2227584.00 | 2227584.00 | 2227584.00 | 2227584.00 | 2227584.00 | |
| SM 40:2;2 | 714980.00 | 714980.00 | 714980.00 | 714980.00 | 714980.00 | 714980.00 | 714980.00 | 714980.00 | |
| SM 40:3;2 | 26427.00 | 26427.00 | 26427.00 | 26427.00 | 26427.00 | 26427.00 | 26427.00 | 26427.00 | |
| SM 40:5;2 | 4831.00 | 4831.00 | 4831.00 | 4831.00 | 4831.00 | 4831.00 | 4831.00 | 4831.00 | |
| SM 40:7;2 | 17272.00 | 17272.00 | 17272.00 | 17272.00 | 17272.00 | 17272.00 | 17272.00 | 17272.00 | |
| SM 40:8;2 | 87432.00 | 87432.00 | 87432.00 | 87432.00 | 87432.00 | 87432.00 | 87432.00 | 87432.00 | |
| SM 40:9;2 | 22874.00 | 22874.00 | 22874.00 | 22874.00 | 22874.00 | 22874.00 | 22874.00 | 22874.00 | |
| SM 41:10;2 | 341347.00 | 341347.00 | 341347.00 | 341347.00 | 341347.00 | 341347.00 | 341347.00 | 341347.00 | |
| SM 41:1;2 | 20438.00 | 20438.00 | 20438.00 | 20438.00 | 20438.00 | 20438.00 | 20438.00 | 20438.00 | |
| SM 41:2;2 | 18889.00 | 18889.00 | 18889.00 | 18889.00 | 18889.00 | 18889.00 | 18889.00 | 18889.00 | |
| SM 41:3;2 | 40573.00 | 40573.00 | 40573.00 | 40573.00 | 40573.00 | 40573.00 | 40573.00 | 40573.00 | |
| SM 41:5;2 | 13776.00 | 13776.00 | 13776.00 | 13776.00 | 13776.00 | 13776.00 | 13776.00 | 13776.00 | |
| SM 41:8;2 | 1876388.00 | 1876388.00 | 1876388.00 | 1876388.00 | 1876388.00 | 1876388.00 | 1876388.00 | 1876388.00 | |
| SM 42:1;2 | 96794.00 | 96794.00 | 96794.00 | 96794.00 | 96794.00 | 96794.00 | 96794.00 | 96794.00 | |
| SM 42:2;2 | 2121657.00 | 2121657.00 | 2121657.00 | 2121657.00 | 2121657.00 | 2121657.00 | 2121657.00 | 2121657.00 | |
| SM 42:2;3 | 28513.00 | 28513.00 | 28513.00 | 28513.00 | 28513.00 | 28513.00 | 28513.00 | 28513.00 | |
| SM 42:3;2 | 125024.00 | 125024.00 | 125024.00 | 125024.00 | 125024.00 | 125024.00 | 125024.00 | 125024.00 | |
| SM 42:3;3 | 16655.00 | 16655.00 | 16655.00 | 16655.00 | 16655.00 | 16655.00 | 16655.00 | 16655.00 | |
| SM 42:4;3 | 11396.00 | 11396.00 | 11396.00 | 11396.00 | 11396.00 | 11396.00 | 11396.00 | 11396.00 | |
| SM 42:5;3 | 9344.00 | 9344.00 | 9344.00 | 9344.00 | 9344.00 | 9344.00 | 9344.00 | 9344.00 | |
| SM 42:6;2 | 9407.00 | 9407.00 | 9407.00 | 9407.00 | 9407.00 | 9407.00 | 9407.00 | 9407.00 | |
| SM 43:0;2 | 12366.00 | 12366.00 | 12366.00 | 12366.00 | 12366.00 | 12366.00 | 12366.00 | 12366.00 | |
| SM 43:10;2 | 842487.00 | 842487.00 | 842487.00 | 842487.00 | 842487.00 | 842487.00 | 842487.00 | 842487.00 | |
| SM 43:1;2 | 7697.00 | 7697.00 | 7697.00 | 7697.00 | 7697.00 | 7697.00 | 7697.00 | 7697.00 | |
| SM 43:2;2 | 8246.00 | 8246.00 | 8246.00 | 8246.00 | 8246.00 | 8246.00 | 8246.00 | 8246.00 | |
| SM 43:3;3 | 18302.00 | 18302.00 | 18302.00 | 18302.00 | 18302.00 | 18302.00 | 18302.00 | 18302.00 | |
| SM 43:4;2 | 50831.00 | 50831.00 | 50831.00 | 50831.00 | 50831.00 | 50831.00 | 50831.00 | 50831.00 | |
| SM 43:5;2 | 46254.00 | 46254.00 | 46254.00 | 46254.00 | 46254.00 | 46254.00 | 46254.00 | 46254.00 | |
| SM 43:9;2 | 381152.00 | 381152.00 | 381152.00 | 381152.00 | 381152.00 | 381152.00 | 381152.00 | 381152.00 | |
| SM 44:3;3 | 8170.00 | 8170.00 | 8170.00 | 8170.00 | 8170.00 | 8170.00 | 8170.00 | 8170.00 | |
| SM 45:11;2 | 106874.00 | 106874.00 | 106874.00 | 106874.00 | 106874.00 | 106874.00 | 106874.00 | 106874.00 | |
| SM 45:2;2 | 9377.00 | 9377.00 | 9377.00 | 9377.00 | 9377.00 | 9377.00 | 9377.00 | 9377.00 | |
| SM 45:3;2 | 17072.00 | 17072.00 | 17072.00 | 17072.00 | 17072.00 | 17072.00 | 17072.00 | 17072.00 | |
| SM 45:5;2 | 26396.00 | 26396.00 | 26396.00 | 26396.00 | 26396.00 | 26396.00 | 26396.00 | 26396.00 | |
| SM 45:6;2 | 12326.00 | 12326.00 | 12326.00 | 12326.00 | 12326.00 | 12326.00 | 12326.00 | 12326.00 | |
| SM 47:5;2 | 31011.00 | 31011.00 | 31011.00 | 31011.00 | 31011.00 | 31011.00 | 31011.00 | 31011.00 | |
| SM 47:6;2 | 15139.00 | 15139.00 | 15139.00 | 15139.00 | 15139.00 | 15139.00 | 15139.00 | 15139.00 | |
| SM 47:7;2 | 5807.00 | 5807.00 | 5807.00 | 5807.00 | 5807.00 | 5807.00 | 5807.00 | 5807.00 | |
| SM 49:5;2 | 5420.00 | 5420.00 | 5420.00 | 5420.00 | 5420.00 | 5420.00 | 5420.00 | 5420.00 | |
| SM 49:6;2 | 9002.00 | 9002.00 | 9002.00 | 9002.00 | 9002.00 | 9002.00 | 9002.00 | 9002.00 | |
| SN-GLYCERO-3-PHOSPHOCHOLINE | 1117825.00 | 1117825.00 | 1117825.00 | 1117825.00 | 1117825.00 | 1117825.00 | 1117825.00 | 1117825.00 | |
| SPBP 18:1;O | 11991.00 | 11991.00 | 11991.00 | 11991.00 | 11991.00 | 11991.00 | 11991.00 | 11991.00 | |
| SUCROSE | 23240.00 | 23240.00 | 23240.00 | 23240.00 | 23240.00 | 23240.00 | 23240.00 | 23240.00 | |
| TAURINE | 18817.00 | 18817.00 | 18817.00 | 18817.00 | 18817.00 | 18817.00 | 18817.00 | 18817.00 | |
| TG 47:0 | 6611.00 | 6611.00 | 6611.00 | 6611.00 | 6611.00 | 6611.00 | 6611.00 | 6611.00 | |
| TG 52:3 | 28778.00 | 28778.00 | 28778.00 | 28778.00 | 28778.00 | 28778.00 | 28778.00 | 28778.00 | |
| TG 52:4 | 15354.00 | 15354.00 | 15354.00 | 15354.00 | 15354.00 | 15354.00 | 15354.00 | 15354.00 | |
| TG 54:4 | 5774.00 | 5774.00 | 5774.00 | 5774.00 | 5774.00 | 5774.00 | 5774.00 | 5774.00 | |
| THEOPHYLLINE | 204471.00 | 204471.00 | 204471.00 | 204471.00 | 204471.00 | 204471.00 | 204471.00 | 204471.00 | |
| THREONINE | 11041.00 | 11041.00 | 11041.00 | 11041.00 | 11041.00 | 11041.00 | 11041.00 | 11041.00 | |
| THR GLU | 1293.00 | 1293.00 | 1293.00 | 1293.00 | 1293.00 | 1293.00 | 1293.00 | 1293.00 | |
| TRANS-3-HYDROXYCOTININE | 4131.00 | 4131.00 | 4131.00 | 4131.00 | 4131.00 | 4131.00 | 4131.00 | 4131.00 | |
| TRIGONELLINE | 97607.00 | 97607.00 | 97607.00 | 97607.00 | 97607.00 | 97607.00 | 97607.00 | 97607.00 | |
| TRIMETHYL(2-{[(2R)-2-[(9Z,12Z)-OCTADECA-9,12-DIENOYLOXY]-3-(... | 2294681.00 | 2294681.00 | 2294681.00 | 2294681.00 | 2294681.00 | 2294681.00 | 2294681.00 | 2294681.00 | |
| TRIMETHYL(2-{[(2R)-2-(OCTADECANOYLOXY)-3-(TETRADECANOYLOXY)P... | 125037.00 | 125037.00 | 125037.00 | 125037.00 | 125037.00 | 125037.00 | 125037.00 | 125037.00 | |
| TRIMETHYL(2-{[(2R)-3-[(1Z)-OCTADEC-1-EN-1-YLOXY]-2-[(9Z)-OCT... | 125139.00 | 125139.00 | 125139.00 | 125139.00 | 125139.00 | 125139.00 | 125139.00 | 125139.00 | |
| TRIMETHYL(2-{[(2R)-3-[(9Z)-OCTADEC-9-ENOYLOXY]-2-(TETRADECAN... | 256196.00 | 256196.00 | 256196.00 | 256196.00 | 256196.00 | 256196.00 | 256196.00 | 256196.00 | |
| TRIMETHYL(2-{[(2R)-3-(OCTADECANOYLOXY)-2-(TETRADECANOYLOXY)P... | 68944.00 | 68944.00 | 68944.00 | 68944.00 | 68944.00 | 68944.00 | 68944.00 | 68944.00 | |
| TRIMETHYLAMINE | 1692.00 | 1692.00 | 1692.00 | 1692.00 | 1692.00 | 1692.00 | 1692.00 | 1692.00 | |
| TRIMETHYLAMINE N-OXIDE | 10091.00 | 10091.00 | 10091.00 | 10091.00 | 10091.00 | 10091.00 | 10091.00 | 10091.00 | |
| TRYPTOPHAN | 27380.00 | 27380.00 | 27380.00 | 27380.00 | 27380.00 | 27380.00 | 27380.00 | 27380.00 | |
| TRYPTOPHANOL | 28592.00 | 28592.00 | 28592.00 | 28592.00 | 28592.00 | 28592.00 | 28592.00 | 28592.00 | |
| TYROSINE | 38253.00 | 38253.00 | 38253.00 | 38253.00 | 38253.00 | 38253.00 | 38253.00 | 38253.00 | |
| UROCANIC ACID | 14723.00 | 14723.00 | 14723.00 | 14723.00 | 14723.00 | 14723.00 | 14723.00 | 14723.00 | |
| VAL GLU | 1325.00 | 1325.00 | 1325.00 | 1325.00 | 1325.00 | 1325.00 | 1325.00 | 1325.00 | |
| VALSARTAN | 5060.00 | 5060.00 | 5060.00 | 5060.00 | 5060.00 | 5060.00 | 5060.00 | 5060.00 |
Factors:
| F1 | Iteration number:1 |
| F2 | Iteration number:2 |
| F3 | Iteration number:3 |
| F4 | Iteration number:4 |
| F5 | Iteration number:5 |
| F6 | Iteration number:6 |
| F7 | Iteration number:7 |
| F8 | Iteration number:8 |
