Table 2. Possible identities of metabolites measured in positive ionization mode.
Potential metabolites identified by comparing m/z ratios of metabolites with m/z ratios obtained from the human metabolome (HMDB) database and also taking expected natural occurrence into consideration.
| Metabolite (m/z) | HMDB MW (m/z) | Error (m/z) | Ret. Time (s) | Possible identity |
|---|---|---|---|---|
| 376.1124 | n/a | n/a | 129 | ? |
| 175.0796 | 175.0713 | 0.0083 | 154 | N-Acetylasparagine/Formiminoglutamic acid [M+H]+ |
| 172.0960 | n/a | n/a | 167 | ? |
| 131.0506 | n/a | n/a | 207 | ? |
| 201.1098 | 201.1121 | 0.0023 | 222 | acis-4-decenedioic acid/cis-5-decenedioic acid [M+H]+ |
| 165.0912 | n/a | n/a | 222. | Fragment of 201.1098 |
| 137.0958 | n/a | n/a | 222 | Fragment of 201.1098 |
| 203.1268 | 203.1277 | 0.0009 | 234 | aSebacic acid/Heptylmalonic acid/3-Methylazelaic acid [M+H]+ |
| 367.2448 | n/a | n/a | 237 | ? |
Notes.
Ret. Time, Retention time.
?
designates several possible candidates whose biological relevance is difficult to judge.
a
also detected in negative mode.