Table 1 MSn Data for TTX standard and compounds m/z 308 and m/z 265.
Compound | MSn | Elemental composition | Theoretical value (m/z) | [M + H]+ (m/z) | Error (mDa) | Error (ppm) |
|---|---|---|---|---|---|---|
TTX | MS1 | C11H17N3O8 | 320.1088 | 320.1099 | 1.1 | 3.44 |
MS2 | C11H15N3O7 | 302.0983 | 302.0984 | 0.1 | 0.33 | |
MS3 | C11H13N3O6 | 284.0877 | 284.0923 | 4.6 | 16.19 | |
C11H11N3O5 | 266.0771 | 266.0828 | 5.7 | 21.42 | ||
C10H13N3O5 | 256.0928 | 256.0957 | 2.9 | 11.32 | ||
C8H7N3O2 | 178.0611 | 178.0621 | 1.0 | 5.62 | ||
C8H7N3O | 162.0662 | 162.0683 | 2.1 | 12.96 | ||
m/z 265 | MS1 | C9H20N4O5 | 265.1506 | 265.1543 | 3.7 | 13.95 |
MS2 | C9H18N4O4 | 247.1401 | 247.1434 | 3.3 | 13.35 | |
C9H10N4O | 191.0927 | 191.1192 | 26.5 | 138.67 | ||
C9H14N4 | 179.1291 | 179.1199 | −9.2 | −51.36 | ||
C9H11N3 | 162.1026 | 162.0927 | −9.9 | −61.08 | ||
m/z 308 | MS1 | C11H21N3O7 | 308.1452 | 308.1183 | −26.9 | −87.30 |
MS2 | C11H19N3O6 | 290.1347 | 290.1317 | −3.0 | −10.34 | |
C9H13N3O | 180.1131 | 180.0999 | −13.2 | −73.29 | ||
C9H11N3 | 162.1026 | 162.0842 | −18.4 | −113.52 |
