Data for ST003343
| Metabolite structure | All data | F1 | F2 |
|---|---|---|---|
| 17-Hydroxyprogesterone | 26749.50 | 13439.75 | |
| 1-Methyladenosine | 1626.00 | 2644.25 | |
| 2,3-Diaminopropionic acid | 7002.88 | 6624.50 | |
| 2^-Deoxyguanosine 5^-monophosphate | 5987.50 | 1141.75 | |
| 2-Hydroxyadenine | 5829.00 | 12156.50 | |
| 3,4-Dihydroxyphenylglycol | 1220.00 | 3237.25 | |
| 3b-Hydroxy-5-cholenoic acid | 3351.00 | 122.00 | |
| 3-Methylindole | 11768.25 | 9678.75 | |
| 3-Nitrotyrosine | 934.25 | 744.75 | |
| 5-Hydroxyindoleacetic acid | 2758.75 | 8510.25 | |
| 5-Hydroxy-L-tryptophan | 36281.25 | 20834.25 | |
| 5-Methoxytryptophan | 1758.75 | 3117.50 | |
| 5-Methoxytryptophol | 1586.50 | 1295.50 | |
| 5^-Methylthioadenosine | 35998.75 | 35941.25 | |
| 7,8-Dihydrobiopterin | 909.50 | 836.50 | |
| 7-Dehydrocholesterol | 8553.00 | 10102.25 | |
| Acetone | 1612.00 | 1074.38 | |
| Adenine | 706216.25 | 606652.25 | |
| Adenosine | 776114.00 | 774746.00 | |
| Adenosine 3^,5^-diphosphate | 106903.00 | 97742.75 | |
| Adenosine monophosphate | 758235.50 | 689545.75 | |
| ADP | 4370.50 | 5956.00 | |
| Aldosterone | 3485.50 | 2175.50 | |
| Allocystathionine | 1377.25 | 2070.88 | |
| Alpha-Aspartyl-lysine | 5065.75 | 3998.00 | |
| Alpha-hydroxyhippuric acid | - | - | |
| Aminoadipic acid | 75572.75 | 108532.50 | |
| Androstenedione | 1099.00 | 1116.75 | |
| Aspartame | 35103.50 | 24516.00 | |
| Aspartyl-lysine | 1985.50 | 2110.75 | |
| Asymmetric dimethylarginine | 790.00 | 700.50 | |
| Benzocaine | 11469.00 | 15165.75 | |
| Beta-N-acetylglucosamine | 2537.25 | 8987.25 | |
| Biotin | 1026.25 | 967.75 | |
| Carnosine | 1347.75 | 675.75 | |
| Chlorpheniramine | 1322.25 | 1628.25 | |
| Citrulline | 11794.50 | 5039.75 | |
| Coumarin | 3931.00 | 3456.00 | |
| Creatine | 1534.25 | 1027.25 | |
| Cyclic AMP | 4194.50 | 4528.00 | |
| Cytidine | 32085.00 | 34852.50 | |
| Cytidine monophosphate | 36759.25 | 28029.75 | |
| D-Arginine | 1143.50 | 727.25 | |
| Deoxyadenosine | 53718.25 | 98839.75 | |
| Deoxyadenosine monophosphate | 15368.75 | 31919.00 | |
| Deoxyuridine | 808.50 | 499.33 | |
| DL-2-aminooctanoic acid | 12135.75 | 12075.75 | |
| D-Limonene | 3501.25 | 2879.00 | |
| D-Lysine | 193484.50 | 279746.00 | |
| Dopamine | 3245.25 | 4494.50 | |
| Doxylamine | 20292.25 | 11631.00 | |
| DUMP | 246.00 | 544.29 | |
| Elaidic acid | 3269.25 | 5309.50 | |
| Epiandrosterone | 2333.75 | 2450.00 | |
| Ethanolamine | 361.14 | 614.00 | |
| FAD | 6233.25 | 9648.75 | |
| Flavin mononucleotide | 9369.25 | 7552.25 | |
| Gamma-Glutamylcysteine | 1523.25 | 2773.75 | |
| Glycylproline | 365.71 | 274.80 | |
| Guanidine | 4754.25 | 9439.00 | |
| Guanine | 22677.75 | 29086.50 | |
| Guanosine | 80941.25 | 122430.25 | |
| Guanosine monophosphate | 43766.75 | 54743.75 | |
| Homocysteine | 1278.75 | 1259.75 | |
| Hydroxykynurenine | 2393.25 | 1735.00 | |
| Hyodeoxycholic acid | 10369.50 | 7398.25 | |
| Hypoxanthine | 1612.25 | 2462.25 | |
| Indole | 82710.75 | 69893.25 | |
| Indoleacrylic acid | 419911.50 | 376756.25 | |
| Isocitric acid | 452.00 | - | |
| Isovalerylcarnitine | 1134.86 | 3064.75 | |
| Isoxanthopterin | 1982.75 | 2458.25 | |
| L-Acetylcarnitine | 1768.00 | 1273.67 | |
| L-Arginine | 16395.25 | 36481.25 | |
| L-Asparagine | 3165.00 | 3360.00 | |
| L-Aspartyl-L-phenylalanine | 126373.75 | 178525.75 | |
| L-Carnitine | 51580.50 | 53504.50 | |
| Leucinic acid | 1437.50 | 1381.75 | |
| L-Glutamic acid | 10245.75 | 10267.50 | |
| L-Glutamine | 2146.25 | 1251.25 | |
| Linoleic acid | 4859.75 | 5098.75 | |
| L-Kynurenine | 465.43 | 453.20 | |
| L-Leucine | 20479.25 | 35922.25 | |
| L-Lysine | 9389.25 | 9719.75 | |
| L-Methionine | 256754.75 | 309472.25 | |
| L-Norleucine | 10477.00 | 5894.00 | |
| L-Phenylalanine | 96817.50 | 98983.50 | |
| L-Proline | 20527.50 | 15977.25 | |
| L-Tryptophan | 102025.50 | 234980.50 | |
| Maltitol | 1430.00 | 849.75 | |
| m-Coumaric acid | 2592.75 | 3572.75 | |
| Mesoporphyrin IX | 2885.62 | 2542.00 | |
| Methionine | 10325.25 | 15832.75 | |
| Methionine sulfoxide | 1823.50 | 2044.00 | |
| Methylmalonic acid | 21153.75 | 17596.00 | |
| Metoprolol | 881.00 | 1063.50 | |
| Mevalonic acid | 4245.25 | 4716.00 | |
| N6-Acetyl-L-lysine | 6527.75 | 6780.75 | |
| N-Acetylglutamic acid | 18380.00 | 37019.25 | |
| N-Acetyl-L-alanine | 798.25 | 1220.00 | |
| N-Acetyl-L-phenylalanine | 899.75 | 1119.75 | |
| N-Acetyl-L-tyrosine | 17468.25 | 25260.00 | |
| N-Alpha-acetyllysine | 10885.50 | 15113.75 | |
| Naproxen | 5465.00 | 6385.25 | |
| Niacinamide | 159717.75 | 157779.00 | |
| N-Methyl-a-aminoisobutyric acid | 21305.00 | 30193.50 | |
| N-Methylhydantoin | 1574.00 | 1446.75 | |
| N,N-Dimethylformamide | 24088.75 | 28662.75 | |
| Nutriacholic acid | 178296.00 | 134981.25 | |
| Ornithine | 2094.25 | 1201.25 | |
| o-Tyrosine | 6840.75 | 10415.75 | |
| PA(16:0/16:0) | 1197.88 | 2727.50 | |
| Pantothenic acid | 2409.50 | 1129.25 | |
| Pentadecanoic acid | 1302.62 | 1570.25 | |
| Phenol | 5492.00 | 5170.00 | |
| Phenylacetaldehyde | 1283.25 | 1247.50 | |
| Phenylephrine | 1454.75 | 1259.12 | |
| Phosphocreatine | 1163.50 | 1262.50 | |
| Phosphoserine | 11163.00 | 9751.75 | |
| Pipecolic acid | 65302.25 | 90006.75 | |
| Propranolol | 2516.25 | 4440.50 | |
| Pterin | 5334.25 | 3234.25 | |
| Pyridine | 1086.67 | 1520.50 | |
| Pyridoxal 5^-phosphate | 35102.50 | 40793.00 | |
| Pyrrolidonecarboxylic acid | 7960.00 | 5421.25 | |
| Quinic acid | 706.75 | 611.67 | |
| Riboflavin | 14707.25 | 11019.50 | |
| Ribose | 955.00 | 1256.50 | |
| Ribothymidine | 3974.75 | 1477.75 | |
| (R)-Lipoic acid | 54018.50 | 56224.25 | |
| Saccharopine | 3674.75 | 3156.50 | |
| Salicin | 5308.00 | 2362.33 | |
| Sphinganine | 22068.75 | 12829.50 | |
| Sphingosine | 12614.50 | 11328.75 | |
| Sulfolithocholic acid | 2565.75 | 5784.75 | |
| Threonic acid | 668.25 | 847.00 | |
| Tiglylglycine | 742.50 | 747.50 | |
| Trans-Cinnamic acid | 3696.75 | 4053.25 | |
| Triamterene | 3654.50 | 1729.75 | |
| Umbelliferone | 1242.75 | 1310.50 | |
| Uracil | 5537.50 | 5317.75 | |
| Urea | 1153.75 | 942.25 | |
| Uridine | 2279.00 | 1340.25 | |
| Uridine 5^-monophosphate | 5330.25 | 4323.50 | |
| Xanthosine | 1308.75 | 1607.75 | |
| Xanthurenic acid | 1780.25 | 1713.00 |
Factors:
| F1 | Sample source:Staphylococcus aureus | Strain:MRSA |
| F2 | Sample source:Staphylococcus aureus | Strain:MSSA |
