TABLE 4.
Identification of metabolites.
| No. | Retention Time | m/z | HMDB ID | Compound name | Ion | Formula | Class | Biological Process | KEGG ID |
|---|---|---|---|---|---|---|---|---|---|
| 1 | 1.34 | 293.0855 | HMDB28755 | Aspartyl-Histidine | M+Na | C10H14N4O5 | Carboxylic acids and derivatives | NA | NA |
| 2 | 10.27 | 133.0649 | HMDB0000168 | L-Asparagine | M+H | C4H8N2O3 | Carboxylic acids and derivatives | Aspartate Metabolism | C00152 |
| 3 | 10.71 | 308.2198 | HMDB13250 | Myristoylglycine | M+Na | C16H31NO3 | Carboxylic acids and derivatives | NA | NA |
| 4 | 29.35 | 228.0076 | HMDB0001228 | L-Glutamic acid 5-phosphate | M+H | C5H10NO7P | Carboxylic acids and derivatives | NA | C03287 |
| 5 | 7.00 | 1,046.5402 | HMDB0001035 | Angiotensin II | M+H | C50H71N13O12 | Carboxylic acids and derivatives | Angiotensin Metabolism | C02135 |
| 6 | 1.06 | 148.1162 | HMDB0000148 | L-Glutamic acid | M+H | C5H9NO4 | Carboxylic acids and derivatives | Glutamate Metabolism | C00025 |
| 7 | 3.73 | 205.0972 | HMDB00929 | L-Tryptophan | M+H | C11H12N2O2 | Indoles and derivatives | Transcription/Translation;Tryptophan Metabolism | C00078 |
| 8 | 29.40 | 593.3307 | HMDB0001926 | 17α-Ethynylestradiol | 2M+H | C20H24O2 | Steroids and steroid derivatives | Lipid metabolism pathway | C07534 |
| 9 | 7.10 | 367.2692 | HMDB0000526 | 5α-Tetrahydrocortisol | M+H | C21H34O5 | Steroids and steroid derivatives | Lipid metabolism pathway | |
| 10 | 8.48 | 500.3798 | HMDB0000874 | Tauroursodeoxycholic acid | M+H | C26H45NO6S | Steroids and steroid derivatives | Lipid metabolism pathway | |
| 11 | 29.66 | 331.2091 | HMDB0000016 | 11-Deoxycorticosterone | M+H | C21H30O3 | Steroids and steroid derivatives | Steroidogenesis; Lipid metabolism pathway | C03205 |
| 12 | 6.11 | 343.2859 | HMDB0004666 | 2-Arachidonylglycerol | M+H-2H2O | C23H38O4 | Endocannabinoids | Fatty acid metabolism | C13856 |
| 13 | 12.41 | 253.2164 | HMDB00477 | 7Z,10Z-Hexadecadienoic acid | M+H | C16H28O2 | Fatty Acyls | Lipid metabolism pathway | |
| 14 | 21.89 | 340.3572 | HMDB00583 | Docosanamide | M+H | C22H45NO | Fatty Acyls | Lipid metabolism pathway | |
| 15 | 10.86 | 187.1119 | HMDB30931 | (E)-2-Tridecene-4,6,8-triyn-1-ol | M+H | C13H14O | Fatty Acyls | Lipid metabolism pathway | |
| 16 | 0.00 | 271.2634 | HMDB02259 | Heptadecanoic acid | M+H | C17H34O2 | Fatty Acyls | Lipid metabolism pathway | |
| 17 | 12.36 | 308.2796 | HMDB0002250 | Dodecanoylcarnitine | M+H-2H2O | C19H37NO4 | Fatty Acyls | Fatty acid metabolism | |
| 18 | 25.10 | 469.3782 | HMDB0055895 | TG(22:6/15:0/22:6) | M+2H | C62H96O6 | Glycerolipids | Lipid metabolism pathway | NA |
| 19 | 23.68 | 857.7542 | HMDB0010427 | TG(18:0/14:0/18:0) | M+Na | C53H102O6 | Glycerolipids | Lipid metabolism pathway | |
| 20 | 28.94 | 343.9054 | HMDB0046910 | TG(22:0/20:5/18:1) | M+3H | C63H110O6 | Glycerolipids | Lipid metabolism pathway | NA |
| 21 | 10.71 | 498.3277 | HMDB0054868 | TG(22:4/20:4/18:4) | M+Na | C63H98O6 | Glycerolipids | Lipid metabolism pathway | NA |
| 22 | 6.26 | 576.3234 | HMDB0011499 | LysoPE(0:0/24:6) | M+Na | C29H48NO7P | Glycerophospholipids | Lipid metabolism pathway | NA |
| 23 | 26.05 | 948.4617 | HMDB0116105 | CDP-DG(a-17:0/i-13:0) | M+Na | C42H77N3O15P2 | Glycerophospholipids | Cardiolipin Biosynthesis | NA |
| 24 | 23.84 | 536.1655 | HMDB0010148 | PIP3(16:0/16:1) | M+H+Na | C41H80O22P4 | Glycerophospholipids | Lipid metabolism pathway | C00626 |
| 25 | 21.94 | 775.5645 | HMDB0010618 | PG(18:1/18:1) | M+H | C42H79O10P | Glycerophospholipids | Lipid metabolism pathway | NA |
| 26 | 10.07 | 440.2858 | HMDB0011472 | LysoPE(0:0/15:0) | M+H | C20H42NO7P | Glycerophospholipids | Lipid metabolism pathway | NA |
| 27 | 26.20 | 1,023.5250 | HMDB0010089 | PIP2(18:1/18:1) | M+H | C45H85O19P3 | Glycerophospholipids | Glycerophospholipid metabolism; Lipid metabolism pathway | C00626 |
| 28 | 21.22 | 889.6357 | HMDB0009528 | PE(22:1/20:2) | M+ACN+Na | C47H88NO8P | Glycerophospholipids | Lipid metabolism pathway | C00350 |
| 29 | 11.66 | 702.4977 | HMDB0056388 | CL(16:0/16:0/16:0/18:0) | M+H+Na | C75H146O17P2 | Glycerophospholipids | Cardiolipin Biosynthesis | NA |
| 30 | 25.40 | 520.5090 | HMDB0004949 | Ceramide (d18:1/16:0) | M+H-H2O | C34H67NO3 | Sphingolipids | Lipid metabolism pathway | C00195 |
| 31 | 29.25 | 302.8993 | HMDB04977 | Glucosylceramide (d18:1/26:0) | M+3Na | C50H97NO8 | Sphingolipids | Lipid metabolism pathway | C01190 |
| 32 | 29.82 | 700.8428 | HMDB04938 | Ganglioside GM2 (d18:1/16:0) | M+2Na | C65H117N3O26 | Sphingolipids | Lipid metabolism pathway | C04884 |
| 33 | 20.30 | 410.8958 | HMDB0004884 | Trihexosylceramide (d18:1/26:1) | M+3Na | C62H117NO18 | Sphingolipids | Lipid metabolism pathway | C04737 |
| 34 | 1.63 | 224.0630 | HMDB0060830 | Melatonin glucuronide | M+H+K | C19H24N2O8 | Nucleoside and nucleotide analogues | NA | NA |
| 35 | 0.19 | 445.1205 | HMDB33041 | 1-(1-Propenylthio)propyl propyl disulfide | 2M+H | C9H18S3 | Organic disulfides | NA | NA |
| 36 | 1.15 | 148.0040 | HMDB0000251 | Taurine | M+Na | C2H7NO3S | Organic sulfonic acids and derivatives | Bile acid biosynthesis; Taurine and hypotaurine metabolism | C00245 |
| 37 | 28.99 | 314.9288 | HMDB0011625 | Dimethylarsinic acid | 2M+K | C2H7AsO2 | Organometalloid compounds | NA | C07308 |
| 38 | 28.58 | 100.1127 | HMDB0013648 | Palmitoleoyl ethanolamide | M+3H | C18H35NO2 | Organonitrogen compounds | NA | NA |
| 39 | 10.16 | 302.3056 | HMDB0000269 | Sphinganine | M+H | C18H39NO2 | Organonitrogen compounds | Sphingolipid Metabolism | C00836 |
| 40 | 7.39 | 155.0703 | HMDB05784 | Hydroxytyrosol | M+H | C8H10O3 | Phenols | NA | C01479 |
| 41 | 28.94 | 205.0173 | HMDB0000779 | Phenyllactic acid | M+K | C9H10O3 | Phenylpropanoic acids | NA | NA |
| 42 | 7.10 | 553.3839 | HMDB0033685 | α-Tocopherol succinate | M+Na | C33H54O5 | Prenol lipids | Lipid metabolism pathway | NA |
| 43 | 7.20 | 183.1381 | HMDB32050 | α-Terpineol formate | M+H | C11H18O2 | Prenol lipids | NA | NA |
| 44 | 12.96 | 190.0499 | HMDB00715 | Kynurenic acid | M+H | C10H7NO3 | Quinolines and derivatives | Tryptophan Metabolism | C00152 |