Table 2.
m/z value (Retention time) | Ion adduct | Putative metabolites | Class | |
---|---|---|---|---|
1 | 114.126 (15.63 min) | – | Unknown 1 | Others |
2 | 116.071 (1.82 min) | M + H | Proline | Amino acid |
3 | 125.107 (17.31 min) | M + Na | N-Methylputrescine | Amino acid |
4 | 128.110 (17.33 min) | M + H-H2O | Heptanoic acid | Carboxylic acid |
5 | 128.112 (9.41 min) | – | Unknown 2 | Others |
6 | 130.050 (1.71 min) | M + H | Pyroglutamic acid | Amino acid |
7 | 130.050 (2.92 min) | M + ACN + H | Pyruvate | Carboxylic acid |
8 | 130.158 (16.50 min) | M + H | Octylamine | Others |
9 | 132.101 (2.50 min) | M + H | Leucine | Amino acid |
10 | 141.140 (16.22 min) | M + ACN + H | 2-Methylpiperidine | Others |
11 | 143.996 (16.98 min) | – | Unknown 3 | Others |
12 | 147.076 (1.70 min) | M + H | Glutamine | Amino acid |
13 | 153.137 (17.35 min) | M + H | 1,8-Diazabicyclo[5.4.0]undec-7-ene | Others |
14 | 156.173 (16.47 min) | M + H | Isopentylideneisopentylamine | Others |
15 | 161.026 (0.28 min) | M + H | Thiacremonone | Alkaloid |
16 | 162.005 (16.98 min) | – | Unknown 4 | Others |
17 | 198.096 (1.84 min) | M + Na | 7-Methylthioheptanaldoxime | Others |
18 | 203.051 (1.85 min) | M + Na | beta-D-Hamamelopyranose | Carbohydrate |
19 | 235.117 (1.65 min) | M + H-H2O | p-(3,4-Dihydro-6-methoxy-2-naphthyl)phenol | Phenolic acid |
20 | 239.149 (7.25 min) | M + H | Agroclavine | Alkaloid |
21 | 242.923 (0.27 min) | M + Na | 2-Iodophenol | Phenolic acid |