Data for ST000552
Metabolite structure | All data | F1 | F2 |
---|---|---|---|
1,2-Benzisothiazolin-3-one | 36635.00 | 41735.00 | |
2^,4^-DIHYDROXYACETOPHENONE | 486090.00 | 2929045.00 | |
2,4-Dinitrophenol (herbicide) | 57840.00 | 135205.00 | |
3-(2-HYDROXYPHENYL)PROPANOATE | 4154000.00 | 4212000.00 | |
3-(4-HYDROXYPHENYL)LACTATE | 42840.00 | 96252.00 | |
3-Aminosalicylic acid | 48020.00 | 46530.00 | |
3-HYDROXY-3-METHYLGLUTARATE | 1289800.00 | 1308300.00 | |
3-Hydroxydecanoic acid | 1016100.00 | 1001850.00 | |
3-METHOXY-4-HYDROXYMANDELATE | 99410.00 | 71145.00 | |
3-METHYL-2-OXOVALERIC ACID | 12295500.00 | 16627000.00 | |
3-methyladipic acid_R1 | 741950.00 | 872550.00 | |
3-methyladipic acid_R2 | 132650.00 | 153050.00 | |
3-SULFINO-L-ALANINE | 1215400.00 | 966100.00 | |
3-tert-Butyladipic acid | 2588500.00 | 2921500.00 | |
4-ACETAMIDOBUTANOATE | 136270.00 | 183365.00 | |
4-COUMARATE | 47975.00 | 36090.00 | |
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID | 225570.00 | 1171013.33 | |
4-HYDROXYBENZALDEHYDE | 387750.00 | 296300.00 | |
4-METHYL-2-OXO-PENTANOIC ACID | 23116150.00 | 34072000.00 | |
4-oxoproline | 13420000.00 | 11874500.00 | |
5-hydroxyindoleacetic acid | 346045.00 | 326335.00 | |
5-HYDROXY-L-TRYPTOPHAN | 145980.00 | 129190.00 | |
6-Hydroxycaproic acid | 5789500.00 | 5467000.00 | |
a-LINOLENIC ACID | 97050.00 | 66255.00 | |
ALLANTOIN | 6194000.00 | 5913000.00 | |
ALPHA-HYDROXYISOBUTYRIC ACID | 61770000.00 | 61090000.00 | |
ALPHA-KETOGLUTARIC ACID | 3858490.00 | 1866110.00 | |
ALPHA-KETOGLUTARIC ACID+2H | 2148500.00 | 1676300.00 | |
ANTHRANILATE | 29880.00 | 40090.00 | |
Arachidonic Acid (20:4) | 2553950.00 | 1899250.00 | |
ASCORBIC ACID | 5036920.00 | 2754275.00 | |
ASPARTATE | 1610000.00 | 1739000.00 | |
AZELAIC ACID | 150990.00 | 190930.00 | |
BOC-L-Tyrosine_R1 | 104040000.00 | 101435000.00 | |
BOC-L-Tyrosine_R2 | 88545000.00 | 86515000.00 | |
C6H12O6-HEXOSE/KETOSE/INOSITOL | 37630000.00 | 38115000.00 | |
Caffeic Acid | 55580.00 | 54800.00 | |
Catechol Sulfate_R1 | 837110.00 | 818605.00 | |
Catechol Sulfate_R2 | 164150.00 | 135780.00 | |
Chenodeoxycholic Acid (CDCA)_R1 | 206631.00 | 65314.21 | |
Chenodeoxycholic Acid (CDCA)_R2 | 194742.11 | 66797.37 | |
Chenodeoxycholic Acid (CDCA)_R3 | 17548.00 | 11645.50 | |
Cholic Acid | 119447.50 | 121614.12 | |
CITRAMALATE | 1578850.00 | 1743000.00 | |
CITRATE | 54459500.00 | 83067000.00 | |
CITRIC ACID-13C6 | 826500.00 | 804400.00 | |
CITRULLINE | 5351000.00 | 4818500.00 | |
CREATINE | 3691400.00 | 3404650.00 | |
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID | 4131000.00 | 4148500.00 | |
Dinoterb (herbicide) | 1795000.00 | 1828500.00 | |
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose | 9263650.00 | 5589500.00 | |
Docosahexaenoic Acid (22:6) | 1051950.00 | 951700.00 | |
D-SACCHARIC ACID | 608650.00 | 759400.00 | |
ETHYLMALONIC ACID | 206300.00 | 277590.00 | |
Ferulic acid sulfate | 38447.50 | 30663.50 | |
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE | 65974500.00 | 89471000.00 | |
GLUCOSE/FRUCTOSE_R1 | 730950000.00 | 754750000.00 | |
GLUCOSE/FRUCTOSE_R2 | 238600000.00 | 246200000.00 | |
GLUTARATE | 180205.00 | 236055.00 | |
GLYCERIC ACID_R1 | 7881000.00 | 8079000.00 | |
GLYCERIC ACID_R2 | 1871000.00 | 1958300.00 | |
GLYCOCHOLATE_R1 | 147374.50 | 322910.00 | |
GLYCOCHOLATE_R2 | 91059.50 | 59793.50 | |
Glycocholic Acid (GCA) | 3206800.00 | 3715790.00 | |
Glycodeoxycholic acid (GDCA) | 4741715.00 | 2326725.00 | |
Glycoursodeoxycholic acid (G-UDCA) | 1066599.00 | 839101.58 | |
HYPOXANTHINE | 2040485.00 | 1969285.00 | |
INDOLE-3-ACETATE | 128005.00 | 126135.00 | |
Inosine | 98065.00 | 99655.00 | |
ISOCITRIC ACID | 6944000.00 | 6596500.00 | |
Kynurenic Acid | 529890.00 | 352405.00 | |
L-2-PHOSPHOGLYCERIC ACID | 37505.56 | 28464.74 | |
LACTATE | 562250000.00 | 535350000.00 | |
LACTATE-dimer | 4130000.00 | 4506000.00 | |
L-CARNITINE | 870900.00 | 876500.00 | |
L-CYSTEIC ACID | 345965.00 | 292250.00 | |
L-Cysteine-S-Sulfate | 1160850.00 | 1290100.00 | |
LEUCINE | 26360.00 | 22441.00 | |
L-GLUTAMIC ACID | 10555000.00 | 8577500.00 | |
L-GLUTAMINE | 20184500.00 | 17814000.00 | |
L-HISTIDINE | 14010700.00 | 12568750.00 | |
Linoleic Acid (18:2) | 1467350.00 | 977700.00 | |
L-ISOLEUCINE_R1 | 272050.00 | 242075.00 | |
L-ISOLEUCINE_R2 | 134395.00 | 125750.00 | |
L-KYNURENINE | 807000.00 | 752900.00 | |
L-METHIONINE | 772650.00 | 812650.00 | |
L-Phenylalanine-13C6 | 409150.00 | 423650.00 | |
L-TYROSINE | 4190000.00 | 3859000.00 | |
L-Tyrosine-13C6 | 288600.00 | 290950.00 | |
L-VALINE | 993150.00 | 920400.00 | |
LysoPC (18:1) | 4726000.00 | 4544900.00 | |
LysoPE (16:0) | 1182850.00 | 1228600.00 | |
LysoPE (18:0) | 1550550.00 | 1333850.00 | |
LysoPE (18:1) | 534800.00 | 546850.00 | |
LysoPE (20:4) | 998550.00 | 1354450.00 | |
LysoPE (22:6) | 498100.00 | 901500.00 | |
MALATE | 17032000.00 | 12219000.00 | |
Mannitol | 10956950.00 | 3110050.00 | |
Mono-(2-Ethylhexyl) Phthalate | 9286000.00 | 3317500.00 | |
Mono-(2-Ethylhexyl) Phthalate Dimer | 29415000.00 | 27547500.00 | |
Mono-(2-Ethylhexyl) Phthalate Trimer | 406245.00 | 114145.00 | |
Monobutyl phthalate | 574200.00 | 529000.00 | |
N-ACETYL-DL-GLUTAMIC ACID | 89225.00 | 76215.00 | |
N-ACETYL-DL-SERINE | 3018550.00 | 1713500.00 | |
N-ACETYLGLYCINE | 6866500.00 | 9193000.00 | |
N-ACETYL-L-ALANINE | 2417500.00 | 2310500.00 | |
N-ACETYL-L-LEUCINE | 143925.00 | 131350.00 | |
NALPHA-ACETYL-L-LYSINE | 301750.00 | 340650.00 | |
N-AMIDINO-L-ASPARTATE | 80225.00 | 84050.00 | |
N-BOC-L-Aspartic Acid_R1 | 79090000.00 | 81360000.00 | |
N-BOC-L-Aspartic Acid_R2 | 11082500.00 | 11291000.00 | |
N-BOC-L-tert-Leucine_R1 | 62285000.00 | 64355000.00 | |
N-BOC-L-tert-Leucine_R2 | 37635000.00 | 38680000.00 | |
N-BOC-L-Tryptophan_R1 | 84775000.00 | 80200000.00 | |
N-BOC-L-Tryptophan_R2 | 70125000.00 | 65880000.00 | |
N-FORMYLGLYCINE | 292900.00 | 330800.00 | |
N-METHYL-L-GLUTAMATE | 230800.00 | 228350.00 | |
Pimelic Acid | 14854.74 | 53194.38 | |
Plasmenyl-LysoPE (P-18:1) | 46990.53 | 34838.33 | |
Proline | 411090.00 | 370520.00 | |
Salicylic Acid-D4 | 8388500.00 | 8554500.00 | |
SARCOSINE/BETA-ALANINE | 1382700.00 | 1290500.00 | |
SUCCINATE | 13407500.00 | 13916500.00 | |
SUCCINIC ACID-13C4 | 855150.00 | 870850.00 | |
Sulfoacetaldehyde | 443775.00 | 377800.00 | |
TARTARIC ACID | 807700.00 | 571950.00 | |
TAURINE | 7407500.00 | 6536500.00 | |
Taurochenodesoxycholic acid (T-CDCA) | 1250380.00 | 274945.00 | |
Taurocholic acid (TCA) | 1020995.00 | 474580.00 | |
Tauroursodeoxycholic acid (T-UDCA) | 75623.50 | 23348.75 | |
THREONINE/HOMOSERINE | 4555000.00 | 3794900.00 | |
Tryptophan | 24453000.00 | 22989000.00 | |
Tryptophan-2,3,3-D3 | 9297000.00 | 8993500.00 | |
URATE | 116110000.00 | 112575000.00 | |
URIDINE | 692700.00 | 700200.00 | |
Vanilloloside | 16960.00 | 25179.50 | |
Vanilloylglycine | 330117.00 | 140670.00 | |
XANTHINE | 1050345.00 | 1195642.00 | |
Xylenesulfonate | 84710.00 | 99425.00 |
Factors:
F1 | VTE:no |
F2 | VTE:yes |