SeqIndex | HMDB_ID | Compound | CompoundWithTMS | RT | RI | TargetIon | Qion | IonRatio | MZ | Intensity |
---|---|---|---|---|---|---|---|---|---|---|
1 | HMDB0000729 | alpha-Hydroxyisobutyric acid-2TMS | alpha-Hydroxyisobutyric acid-2TMS | 12.855 | -1 | 131 | 205 | |||
2 | HMDB0000115 | Glycolic acid-2TMS | Glycolic acid-2TMS | 13.335 | 1004 | |||||
3 | HMDB0000243 | Pyruvic acid-1TMS | Pyruvic acid-1TMS | 14.307 | 1037 | 232 | 204 | |||
4 | HMDB0000190 | L-Lactic acid | L-Lactic acid | 14.946 | 1058 | 117 | 191 | |||
5 | HMDB0000161 | Alanine | Alanine 2TMS | 16.218 | 1097 | 116 | 190 | |||
6 | HMDB0000123 | Glycine | derivatized glycine | 18.138 | 1170 | |||||
7 | HMDB0000883 | Valine | Valine | 19.117 | 1207 | 144 | 218 | |||
8 | HMDB0000294 | Urea | Urea (2TMS) | 19.747 | 1236 | 189 | ||||
9 | HMDB0002142 | Phosphoric acid | Phosphoric acid (3TMS) | 20.358 | 1263 | 299 | 314 | |||
10 | HMDB0001844 | 2-Methylsuccinic acid-2TMS | 2-Methylsuccinic acid-2TMS | 20.402 | 1265 | 261 | 217 | |||
11 | HMDB0000172 | L-Isoleucine | L-Isoleucine (2TMS) | 20.829 | -1 | 158 | 218 | |||
12 | HMDB0000162 | Proline | Proline (2TMS) | 21.025 | 1291 | 117 | 216 | |||
13 | HMDB0000123 | Glycine | Glycine-3TMS | 21.172 | 1298 | 174 | 276 | 276, 248 | ||
14 | HMDB0000254 | Succinic acid | Succinic acid | 21.298 | 1303 | 247 | 262 | |||
15 | HMDB0001488 | Nicotinic acid | Nicotinic acid | 21.783 | 1328 | |||||
16 | HMDB0000300 | Uracil | Uracil (2TMS) | 21.808 | 1330 | 241 | 256 | |||
17 | HMDB0000187 | Serine | Serine (3TMS) | 22.133 | 1346 | 204 | 218 | |||
18 | HMDB0000167 | L-Threonine | L-Threonine (3TMS) | 22.646 | 1371 | 218 | 291 | |||
19 | HMDB0000134 | Fumaric acid | Fumaric acid | 22.799 | 1379 | 245 | 133 | |||
20 | HMDB0000262 | Pyrimidine, 5-methyl (thymine) | Pyrimidine, 5-methyl (thymine) (2TMS) | 23.022 | 1390 | 255 | 270 | |||
21 | HMDB0000744 | Malic acid | Malic acid (3TMS) | 24.492 | 1470 | 233 | 335 | |||
22 | HMDB0000764 | Hydrocinnamic acid | Hydrocinnamic acid | 24.891 | 1492 | |||||
23 | HMDB0000191 | Aspartic acid | Aspartic acid (3TMS) | 25.093 | 1503 | 232 | 334 | 334, (218) | ||
24 | HMDB0000267 | Pyroglutamic acid | Pyroglutamic acid | 25.275 | 1514 | 156 | 258 | |||
25 | HMDB0000148 | Glutamine | Glutamine | 26.721 | -1 | |||||
26 | HMDB0000020 | p-Hydroxyphenylacetic acid-2TMS | p-Hydroxyphenylacetic acid-2TMS | 27.054 | 1622 | 296 | 281 | |||
27 | HMDB0000500 | p-Hydroxybenzoic acid-2TMS | p-Hydroxybenzoic acid-2TMS | 27.414 | 1646 | 267 | 223 | |||
28 | HMDB0000508 | Ribitol | Ribitol (5TMS) | 28.991 | 1749 | 217 | 319 | |||
29 | HMDB0002064 | N-Acetylputrescine | N-Acetylputrescine (2TMS) | 28.993 | 1749 | 174 | 259 | |||
30 | HMDB0000214 | L-Ornithine | L-Ornithine (3TMS) | 29.765 | 1801 | 174 | 348 | |||
31 | HMDB0000209 | Benzeneacetic acid | Benzeneacetic acid (3TMS) | 29.959 | 1815 | 179 | 384 | |||
32 | HMDB0000143 | Galactose | Galactose oxime (5TMS) | 30.644 | 1864 | 319 | 205 | |||
33 | HMDB0000122 | D-Glucose | D-Glucose (5TMS) | 31.049 | -1 | 319 | 205 | |||
34 | HMDB0000182 | Lysine | Lysine (4TMS) | 31.2 | -1 | 174 | 317 | |||
35 | HMDB0000220 | Palmitic acid | Palmitic acid | 35.004 | -1 | 313 | 117 | |||
36 | HMDB0000929 | Tryptophan | Tryptophan (3TMS) | 35.073 | -1 | 202 | 218 | |||
37 | HMDB0001257 | Spermidine | Spermidine (6TMS) | 35.437 | -1 | 174 | 200 | |||
38 | HMDB0000211 | Myoinositol | Myoinositol (6TMS) | 35.633 | -1 | 305 | 217 | |||
39 | HMDB0000197 | 1H-Indole-3-acetic acid | 1H-Indole-3-acetic acid | 35.841 | -1 | 202 | 319 | |||
40 | HMDB0000827 | Stearic acid | Stearic acid | 38.165 | -1 | 356 | 341 | |||
41 | HMDB0000215 | N-Acetyl-D-glucosamine | N-Acetyl-D-glucosamine | -1 |