Identification of the significantly different endogenous metabolites in the model.
| No. | HMDB | RT | m/z | Adduct | Adduct MW (Da) | Compound MW (Da) | Delta | Chemical formula | Compound name |
|---|---|---|---|---|---|---|---|---|---|
| 1 | HMDB61890 | 0.59 | 187.0797 | M + H | 187.0713 | 186.0641 | 0.0084 | C7H10N2O4 | Pyroglutamylglycine |
| 2 | HMDB40275 | 0.60 | 203.0547 | M + H | 203.0550 | 202.0477 | 0.0003 | C8H10O6 | Ethyl aconitate |
| 3 | HMDB00289 | 0.95 | 169.0369 | M + H | 169.0356 | 168.0283 | 0.0013 | C5H4N4O3 | Uric acid |
| 4 | HMDB29737 | 1.79 | 146.0612 | M + H | 146.0600 | 145.0528 | 0.0012 | C9H7NO | 1H-Indole-3-carboxaldehyde |
| 5 | HMDB00734 | 1.79 | 188.0721 | M + H | 188.0706 | 187.0633 | 0.0015 | C11H9NO2 | Indoleacrylic acid |
| 6 | HMDB32857 | 1.84 | 261.1335 | M + H | 261.1333 | 260.1260 | 0.0002 | C12H20O6 | Glycerol tripropanoate |
| 14 | HMDB02904 | 7.06 | 343.2267 | M + H | 343.2115 | 342.2042 | 0.0152 | C18H30O6 | 2,3-Dinor-TXB2 |
| 18 | HMDB10383 | 7.14 | 494.3279 | M + H | 494.3241 | 493.3168 | 0.0038 | C24H48NO7P | LysoPC (16 : 1) |
| 19 | HMDB10389 | 7.14 | 516.31 | M + H | 516.3085 | 515.3012 | 0.0015 | C26H46NO7P | LysoPC (18 : 4) |
| 53 | HMDB10410 | 8.38 | 351.2309 | M + H | 351.2166 | 350.2093 | 0.0143 | C20H30O5 | Resolvin E1 |
| 62 | HMDB01220 | 8.83 | 353.2476 | M + H | 353.2323 | 352.2250 | 0.0154 | C20H32O5 | Prostaglandin E2 |
| 63 | HMDB11651 | 8.83 | 375.2296 | M + H | 375.2166 | 374.2093 | 0.0130 | C22H30O5 | 11beta,20-Dihydroxy-3-oxopregn-4-en-21-oic acid |
| 64 | HMDB10409 | 9.00 | 321.2117 | M + H | 321.2424 | 320.2351 | 0.0307 | C20H32O3 | 11,12-EpETrE |
| 71 | HMDB13213 | 9.83 | 367.3202 | M + H | 367.3445 | 366.3372 | 0.0243 | C23H44NO2 | alpha-Linoleoylcholine |
| 89 | HMDB11134 | 7.01 | 319.23 | M − H | 319.2279 | 320.2351 | 0.0009 | C20H32O3 | 5-HETE |
| 118 | HMDB00822 | 0.64 | 167.0226 | M − H | 167.0350 | 168.0423 | 0.0124 | C8H8O4 | p-Hydroxymandelic acid |
| 119 | HMDB01874 | 0.98 | 191.0211 | M − H | 191.0197 | 192.0270 | 0.0014 | C6H8O7 | D-threo-Isocitric acid |
| 121 | HMDB06357 | 2.24 | 187.0084 | M − H | 187.0248 | 188.0321 | 0.0164 | C7H8O6 | cis-2-Methylaconitate |
| 127 | HMDB01445 | 7.01 | 586.3178 | M − H | 586.2188 | 587.2260 | 0.0990 | C23H43NO12P2 | N-Acetyl-D-glucosaminyldiphosphodolichol |
| 138 | HMDB13206 | 7.59 | 255.2342 | M − H | 255.2204 | 256.2277 | 0.0138 | C15H30NO2 | 9-Decenoylcholine |
| 142 | HMDB01045 | 7.70 | 554.3286 | M − H | 554.2620 | 555.2693 | 0.0666 | C28H37N5O7 | Enkephalin L |
| 148 | HMDB13022 | 7.88 | 616.3632 | M − H | 616.3716 | 617.3788 | 0.0084 | C32H51N5O7 | Neuromedin N |
| 149 | HMDB01999 | 7.97 | 301.2192 | M − H | 301.2173 | 302.2246 | 0.0019 | C20H30O2 | Eicosapentaenoic acid |
| 156 | HMDB59632 | 8.33 | 395.2222 | M − H | 395.2204 | 396.2277 | 0.0018 | C18H37O7P | (9S,10S)-10-Hydroxy-9-(phosphonooxy)octadecanoate |
| 157 | HMDB02183 | 8.34 | 327.2347 | M − H | 327.2330 | 328.2402 | 0.0017 | C22H32O2 | Docosahexaenoic acid |
| 158 | HMDB01043 | 8.36 | 303.2349 | M − H | 303.2330 | 304.2402 | 0.0019 | Arachidonic acid | |
| 159 | HMDB12869 | 8.36 | 371.222 | M − H | 371.2228 | 372.2301 | 0.0008 | C23H32O4 | 9′-Carboxy-gamma-tocotrienol |
| 163 | HMDB00220 | 8.69 | 255.2345 | M − H | 255.2330 | 256.2402 | 0.0012 | C16H32O2 | Palmitic acid |
| 165 | HMDB04708 | 8.76 | 329.2499 | M − H | 329.2333 | 330.2406 | 0.0166 | C18H34O5 | 9,12,13-TriHOME |
| 166 | HMDB41480 | 8.93 | 281.2504 | M − H | 281.2486 | 282.2559 | 0.0018 | Octadecenoic acid | |
| 167 | HMDB13040 | 8.94 | 349.2377 | M − H | 349.2020 | 350.2093 | 0.0357 | C20H30O5 | PGH3 |
| 169 | HMDB00827 | 9.72 | 283.2661 | M − H | 283.2643 | 284.2715 | 0.0088 | C18H36O2 | Stearic acid |