Table 2. Metabolites Identified from the Crab Brain Specimen Based on HRMSI.
| name | formula | theoretical monoisotopic m/z | Orbitrap XL measurement m/z | Δm (ppm) |
|---|---|---|---|---|
| glutamine | C5H11N2O3 | 147.0764 | 147.0763 | –0.7 |
| lysine | C6H15N2O2 | 147.1128 | 147.1127 | –0.7 |
| histidine | C6H10N3O2 | 156.0768 | 156.0766 | –1.3 |
| carnitine | C7H16NO3 | 162.1125 | 162.1122 | –1.9 |
| arginine | C6H15N4O2 | 175.1190 | 175.1190 | 0 |
| hydroxyarginine | C6H15N4O3 | 191.1139 | 191.1138 | –0.5 |
| adenine | C5H6N5 | 136.0618 | 136.0620 | 1.5 |
| guanine | C5H6N5O | 152.0567 | 152.0568 | 0.7 |
| AMP | C10H15N5O7P | 348.0704 | 348.0707 | 0.9 |
| GMP | C10H15N5O8P | 364.0653 | 364.0657 | 1.1 |
| AMP + K | C10H14N5O7PK | 386.0262 | 386.0263 | 0.3 |
| GMP + Na | C10H14N5O8PNa | 386.0472 | 386.0478 | 1.6 |
| aminobenzoic acid | C7H8NO2 | 138.0550 | 138.0547 | –2.2 |
| aminobenzoic acid + Na | C7H7NO2Na | 160.0369 | 160.0368 | –0.6 |
| aminopentanoic acid + Na | C5H11NO2Na | 140.0682 | 140.0680 | –1.4 |