Data for ST000552
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 1,2-Benzisothiazolin-3-one | 104285.00 | 113920.00 | |
| 1,3-Benzodioxolyl-N-methylbutanamine (MBDB) | 111880.00 | 119055.00 | |
| 1-AMINOCYCLOPROPANE-1-CARBOXYLATE | 1772000.00 | 1669600.00 | |
| 1-METHYLADENOSINE | 110286.36 | 324981.25 | |
| 2-AMINOPHENOL | 80365.00 | 104100.00 | |
| 2-Hydroxyphenylalanine | 134785000.00 | 123305000.00 | |
| 2-Phenylglycine | 80225.00 | 97815.00 | |
| 3-(2-HYDROXYPHENYL)PROPANOATE | 146840.00 | 341920.00 | |
| 3,4-Dimethylbenzoic acid | 310850.00 | 317650.00 | |
| 3,5-Di-tert-butylbenzaldehyde | 440600.00 | 442550.00 | |
| 3-AMINOISOBUTANOATE | 985150.00 | 1080700.00 | |
| 3-HYDROXY-3-METHYLGLUTARATE | 45500.00 | 50375.00 | |
| 3-HYDROXYANTHRANILIC ACID | 31434.50 | 32620.00 | |
| 3-(Hydroxyphenyl) Propionic Acid | 74595.00 | 34235.00 | |
| 3-METHOXYTYRAMINE | 43240.00 | 49015.00 | |
| 3-UREIDOPROPIONATE | 383450.00 | 545650.00 | |
| 4-AMINOBUTANOATE (GABA) | 46410000.00 | 28844500.00 | |
| 4-GUANIDINOBUTANOATE | 549350.00 | 709100.00 | |
| 4-HYDROXY-L-PHENYLGLYCINE | 323400.00 | 296200.00 | |
| 4-IMIDAZOLEACETIC ACID | 523750.00 | 618550.00 | |
| 5,6-DIHYDROURACIL | 615100.00 | 599000.00 | |
| 5-AMINOLEVULINIC ACID_R1 | 4136500.00 | 5701500.00 | |
| 5-AMINOLEVULINIC ACID_R2 | 1961350.00 | 1383650.00 | |
| 5-AMINOLEVULINIC ACID_R3 | 1460850.00 | 1128300.00 | |
| 5-hydroxyindoleacetic acid | 1430700.00 | 1342950.00 | |
| 5-HYDROXY-L-TRYPTOPHAN | 338450.00 | 309165.00 | |
| 5-Hydroxymethyl-2-furaldehyde | 6334000.00 | 6584000.00 | |
| 5-Hydroxy-N-formylkynurenine | 815050.00 | 1961150.00 | |
| 5-METHYLCYTOSINE HYDROCLORIDE | 532100.00 | 481050.00 | |
| 6C-SUGAR ALCOHOL | 62767500.00 | 21578000.00 | |
| 6-DEOXY-HEXOSE | 14649000.00 | 14115500.00 | |
| 6-Quinolincarboxylic Acid | 152275.00 | 189755.00 | |
| Acetaminophen/Paracetamol_R1 | 2143735.00 | 2227705.00 | |
| Acetaminophen/Paracetamol_R2 | 9535895.00 | 19475695.00 | |
| Acyl-Carnitine(5-OH) | 575950.00 | 508550.00 | |
| ADENINE | 134450.00 | 134645.00 | |
| ALANINE/SARCOSINE | 19130000.00 | 19335500.00 | |
| ALDO/KETO-HEXOSE | 335815000.00 | 383950000.00 | |
| ALLANTOIN | 4589500.00 | 4546000.00 | |
| ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE | 1182300.00 | 956400.00 | |
| Anthranilate | 464950.00 | 477290.00 | |
| ASPARTATE_R1 | 1236250.00 | 1214100.00 | |
| ASPARTATE_R2 | 773100.00 | 869300.00 | |
| BETAINE | 229750000.00 | 184110000.00 | |
| Bis(2-ethylhexyl) phthalate | 3374500.00 | 3780500.00 | |
| BOC-D-Phenylalanine | 91195000.00 | 88770000.00 | |
| BOC-L-Tyrosine | 106635000.00 | 104395000.00 | |
| BUTYROBETAINE | 66190000.00 | 58165000.00 | |
| Caffeine-D3 | 27430000.00 | 27345000.00 | |
| Camphor | 143250.00 | 146950.00 | |
| Chenodeoxycholyglycine (GCDCA)_R1 | 1568660.00 | 900054.00 | |
| Chenodeoxycholyglycine (GCDCA)_R2 | 775625.50 | 470697.89 | |
| Chenodeoxycholyglycine (GCDCA)_R3 | 1207310.00 | 513316.00 | |
| Choline | 115125000.00 | 108885000.00 | |
| CITRAMALATE | 24879.00 | 24007.00 | |
| CITRATE_R1 | 8557950.00 | 13094450.00 | |
| CITRATE_R2 | 1811270.00 | 2702980.00 | |
| CITRULLINE | 12671500.00 | 11345500.00 | |
| CREATINE | 350650000.00 | 287400000.00 | |
| Creatine-D3 | 15370000.00 | 15735000.00 | |
| CREATININE | 596200000.00 | 591850000.00 | |
| Decanoylcarnitine | 1519300.00 | 1615500.00 | |
| D-(+)-GALACTOSAMINE | 224125.00 | 156056.25 | |
| D-GLUCOSAMINE 6-PHOSPHATE | 188545.00 | 199865.00 | |
| Dibutyl phthalate | 3977000.00 | 3946000.00 | |
| DIHYDROXYACETONE PHOSPHATE | 180175.00 | 165150.00 | |
| Diphenylamine | 116800.00 | 120140.00 | |
| Dipropylene glycol | 3234000.00 | 4950000.00 | |
| Dipropyleneglycol dibenzoate | 206400.00 | 203950.00 | |
| Dipropyl phthalate | 195000.00 | 192800.00 | |
| DL-5-HYDROXYLYSINE | 124972.50 | 89799.33 | |
| D-Ribose | 405150.00 | 479150.00 | |
| Formylkynurenine | 1477750.00 | 2559500.00 | |
| Galaxolidone | 166800.00 | 169750.00 | |
| Gallic Acid | 60050.00 | 87630.00 | |
| GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE | 2915273.68 | 4117580.00 | |
| GLUCOSAMINE/MANNOSAMINE_R1 | 2049500.00 | 2122000.00 | |
| GLUCOSAMINE/MANNOSAMINE_R2 | 314700.00 | 365050.00 | |
| GLUTARATE | 28000.00 | 37405.00 | |
| GLYCEROL | 1921550.00 | 2118000.00 | |
| Glycerophosphocholine | 38915000.00 | 38395000.00 | |
| GLYCOCHOLATE | 160250.00 | 336395.71 | |
| Glycocholic Acid (GCA)_R1 | 1334845.00 | 1649105.00 | |
| Glycocholic Acid (GCA)_R2 | 410560.00 | 182448.75 | |
| Glycocholic Acid (GCA)_R3 | 237369.47 | 317515.79 | |
| Glycocholic Acid (GCA)_R4 | 182940.71 | 234442.86 | |
| Glycocholic Acid (GCA)_R5 | 130442.67 | 209899.17 | |
| Glycocholic Acid (GCA)_R6 | 43165.71 | 55111.43 | |
| Glycodeoxycholic acid (GDCA) | 324396.67 | 135517.14 | |
| Glycoursodeoxycholic acid (G-UDCA)_R1 | 128010.00 | 365315.00 | |
| Glycoursodeoxycholic acid (G-UDCA)_R2 | 181788.89 | 334627.37 | |
| Glycoursodeoxycholic acid (G-UDCA)_R3 | 243964.21 | 250255.88 | |
| Glycoursodeoxycholic acid (G-UDCA)_R4 | 253501.58 | 227556.11 | |
| Glycoursodeoxycholic acid (G-UDCA)_R5 | 179077.65 | 143799.33 | |
| HEXOSE-DISACCHARIDE | 1566950.00 | 2215600.00 | |
| Hippuric Acid | 12706350.00 | 17320000.00 | |
| Hydroxyhippuric acid | 538540.00 | 782305.00 | |
| Hypoxanthine | 166061.00 | 255496.50 | |
| HYPOXANTHINE | 12843685.00 | 12707710.00 | |
| INDOLE-3-ACETATE | 43997.00 | 23203.00 | |
| Iohexol | 15769211.67 | 24442987.65 | |
| Isobutyrylcarnitine | 4784500.00 | 4753300.00 | |
| Isovalerylcarnitine | 4321500.00 | 1869200.00 | |
| Kynurenic Acid | 788550.00 | 496135.00 | |
| L-Acetylcarnitine | 47155000.00 | 36440000.00 | |
| L-ARGININE | 27437350.00 | 27070000.00 | |
| L-ASPARAGINE | 1295250.00 | 1242350.00 | |
| L-CARNITINE | 434750000.00 | 395700000.00 | |
| L-Carnitine (trimethyl-D9) | 20755500.00 | 29486000.00 | |
| L-CYSTEIC ACID | 212910.00 | 209765.00 | |
| Levofloxacin | 27535.00 | 8257930.00 | |
| L-GLUTAMINE | 170795000.00 | 173000000.00 | |
| L-HISTIDINE | 51005000.00 | 51195000.00 | |
| Lidocaine | 10228250.00 | 18399402.50 | |
| L-Isoleucine | 236030000.00 | 209370000.00 | |
| L-KYNURENINE | 13906000.00 | 13127500.00 | |
| LL-2,6-DIAMINOHEPTANEDIOATE | 450350.00 | 492350.00 | |
| L-(+)-Lactic Acid | 229400.00 | 184975.00 | |
| L-LEUCINE | 500350000.00 | 460150000.00 | |
| L-Leucine 13C6 | 31765000.00 | 33155000.00 | |
| L-Leucine-D10 | 21635000.00 | 21680000.00 | |
| L-LYSINE | 2574500.00 | 2292600.00 | |
| L-METHIONINE_R1 | 31856500.00 | 33583000.00 | |
| L-METHIONINE_R2 | 821700.00 | 937100.00 | |
| L-Phenylalanine | 516950000.00 | 498650000.00 | |
| L-Phenylalanine 13C6 | 37735000.00 | 38390000.00 | |
| L-PROLINE | 658150000.00 | 602650000.00 | |
| L-SERINE | 999280.00 | 963200.00 | |
| L-Tryptophan | 322050000.00 | 302590000.00 | |
| L-Tryptophan-NH3 | 87365000.00 | 81770000.00 | |
| L-Tyrosine 13C6 | 10178500.00 | 10218500.00 | |
| L-VALINE/5-AMINOPENTANOATE/L-NORVALINE | 849900000.00 | 795350000.00 | |
| LysoPC (16:0)_R1 | 51595000.00 | 49770000.00 | |
| LysoPC (16:0)_R2 | 5441000.00 | 5473500.00 | |
| LysoPC (16:0)_R3 | 3426000.00 | 3158500.00 | |
| LysoPC (16:0)_R4 | 981100.00 | 954350.00 | |
| LysoPC (16:1)_R1 | 1027900.00 | 1305500.00 | |
| LysoPC (16:1)_R2 | 313350.00 | 326225.00 | |
| LysoPC (18:0)_R1 | 11627000.00 | 10611000.00 | |
| LysoPC (18:0)_R2 | 1112600.00 | 1535650.00 | |
| LysoPC (18:2)_R1 | 5622000.00 | 5241000.00 | |
| LysoPC (18:2)_R2 | 1798900.00 | 2594500.00 | |
| LysoPC (20:4) | 366190.00 | 413375.00 | |
| LysoPE (18:0) | 1388450.00 | 1248550.00 | |
| LysoPE (18:1) | 456800.00 | 494680.00 | |
| LysoPE (20:4)_R1 | 641550.00 | 948900.00 | |
| LysoPE (20:4)_R2 | 375000.00 | 552450.00 | |
| LysoPE (22:6) | 361650.00 | 696650.00 | |
| Methionine Sulfoxide | 15581000.00 | 13983500.00 | |
| METHYL INDOLE-3-ACETATE | 620157.89 | 1065489.47 | |
| METHYL JASMONATE | 96095.00 | 96415.00 | |
| Monobutyl phthalate | 952800.00 | 951300.00 | |
| MONO-METHYL GLUTARATE | 3843185.00 | 5530790.00 | |
| N1-Methyl-2-pyridone-5-carboxamide | 478695.00 | 571385.00 | |
| N1-Methyl-4-pyridone-5-carboxamide | 1835950.00 | 2922400.00 | |
| N-Acetyl-Arginine | 123520.00 | 98395.00 | |
| N-ACETYL-DL-GLUTAMIC ACID | 51925.00 | 42970.00 | |
| N-ACETYL-DL-SERINE_R1 | 1720550.00 | 1652450.00 | |
| N-ACETYL-DL-SERINE_R2 | 252970.00 | 192510.00 | |
| N-ACETYLGLYCINE | 1537750.00 | 1963100.00 | |
| N-ACETYL-HEXOSAMINE | 836200.00 | 939300.00 | |
| N-ACETYL-L-ALANINE | 1219800.00 | 1142350.00 | |
| N-ACETYL-L-ASPARTIC ACID | 138810.00 | 119505.00 | |
| N-ACETYL-L-LEUCINE | 127275.00 | 124045.00 | |
| N-ACETYLPUTRESCINE | 4971500.00 | 5717000.00 | |
| N-ALPHA-ACETYL-L-LYSINE | 1552500.00 | 1535550.00 | |
| N-BOC-L-Aspartic Acid | 22910000.00 | 23180000.00 | |
| N-BOC-L-tert-Leucine | 13485000.00 | 13715000.00 | |
| N-BOC-L-Tryptophan_R1 | 66950000.00 | 62395000.00 | |
| N-BOC-L-Tryptophan_R2 | 5948000.00 | 5448000.00 | |
| NICOTINAMIDE | 1450850.00 | 1352700.00 | |
| N-METHYL-D-ASPARTIC ACID | 14723500.00 | 12750000.00 | |
| N-Methylnicotinamide | 2608050.00 | 1958550.00 | |
| N(PAI)-METHYL-L-HISTIDINE | 101715000.00 | 101240000.00 | |
| O-Acetyl-Lcarnitine:HCl (N-methyl-D3) | 2544350.00 | 3799550.00 | |
| O-Butyryl-L-carnitine:HCl | 3515000.00 | 4618500.00 | |
| Octanoylcarnitine | 2621500.00 | 2720000.00 | |
| O-Isovaleryl-L-carnitine (N,N,N-trimethyl-D9) | 3954000.00 | 5357000.00 | |
| O-Myristol-L-carnitine:HCl(N,N,N-trimethyl-D9) | 875150.00 | 1072550.00 | |
| O-Octanoyl-L-carnitine:HCl(N-methyl-D3) | 3626000.00 | 5116500.00 | |
| O-Propionyl_L-carnitine:HCl | 2867000.00 | 4022000.00 | |
| ORNITHINE | 882050.00 | 935450.00 | |
| Palmitoleic acid | 140600.00 | 145150.00 | |
| Pantothenic Acid | 1748500.00 | 1856650.00 | |
| PEG n5 | 3993000.00 | 18405550.00 | |
| PHENETHYLAMINE | 3630000.00 | 3639000.00 | |
| Phenylalanine-HCOOH | 78685000.00 | 75965000.00 | |
| PHOSPHOCHOLINE | 283405.00 | 225195.00 | |
| PIPECOLATE/L-PIPECOLIC ACID | 29935000.00 | 31657000.00 | |
| Proprionylcarnitine | 9115500.00 | 8200000.00 | |
| PYRIDINE-2,3-DICARBOXYLATE | 366000.00 | 359450.00 | |
| PYRIDOXAL | 59475.00 | 71905.00 | |
| PYRIDOXINE | 15771.00 | 12373.50 | |
| Pyroglutamic Acid | 41265000.00 | 37315000.00 | |
| QUINATE | 178530.00 | 135500.00 | |
| (R)-MALATE | 310690.00 | 191650.00 | |
| SEROTONIN | 837270.00 | 1211846.84 | |
| SEROTONIN-NH3 | 900601.50 | 1241762.50 | |
| SPERMIDINE | 1009450.00 | 1066110.00 | |
| SPERMINE | 447750.00 | 422625.00 | |
| Sphingosine (d18:1) | 545415.00 | 509685.00 | |
| Stachydrine_R1 | 65227500.00 | 70227500.00 | |
| Stachydrine_R2 | 37778500.00 | 42324500.00 | |
| SUCCINATE | 301510.00 | 311550.00 | |
| Sulcatol | 362250.00 | 417000.00 | |
| Syringic Acid | 28492.50 | 171572.22 | |
| TAURINE | 4041000.00 | 3788000.00 | |
| Taurocholic acid_R1 | 137083.33 | 53988.00 | |
| Taurocholic acid_R2 | 68692.00 | 24511.67 | |
| Taurocholic acid (TCA)_R1 | 142764.29 | 57087.14 | |
| Taurocholic acid (TCA)_R2 | 86455.00 | 27551.67 | |
| Taurocholic acid (TCA)_R3 | 87920.91 | 37560.91 | |
| Taurocholic acid (TCA)_R4 | 33871.25 | 22808.33 | |
| Taurodeoxycholic Acid (T-DCA)_R1 | 163672.00 | 106448.42 | |
| Taurodeoxycholic Acid (T-DCA)_R2 | 137243.00 | 39752.11 | |
| Taurodeoxycholic Acid (T-DCA)_R3 | 87422.50 | 25737.14 | |
| Taurodeoxycholic Acid (T-DCA)_R4 | 185617.50 | 31212.00 | |
| Taurodeoxycholic Acid (T-DCA)_R5 | 62796.67 | 17494.00 | |
| Taurodeoxycholic Acid (T-DCA)_R6 | 61525.00 | 16902.73 | |
| Taurodeoxycholic Acid (T-DCA)_R7 | 54663.33 | 16985.00 | |
| Tetrahydrothiophene-1-oxide | 274500.00 | 282250.00 | |
| THIAMINE | 40275.00 | 513096.67 | |
| THREONINE/HOMOSERINE_R1 | 22510000.00 | 20900000.00 | |
| THREONINE/HOMOSERINE_R2 | 9993100.00 | 3492800.00 | |
| THYMINE | 95975.00 | 88330.00 | |
| TRANS-CINNAMATE | 973650.00 | 912850.00 | |
| Triethyl phosphate | 1025100.00 | 1043800.00 | |
| Trigonelline | 8594150.00 | 7694000.00 | |
| Tryptophan-2,3,3-D3 | 129200000.00 | 127950000.00 | |
| Tryptophan-2,3,3-D3-NH3 | 31920000.00 | 31565000.00 | |
| URACIL | 231000.00 | 214800.00 | |
| URATE | 138235000.00 | 140245000.00 | |
| URIDINE | 199200.00 | 205800.00 | |
| UROCANATE | 937500.00 | 632600.00 | |
| Valerylcarnitine | 1714500.00 | 1035700.00 |
Factors:
| F1 | VTE:no |
| F2 | VTE:yes |
