Table 4.
LC-Orbitrap MS/MS data for the studied microcystins
| Microcystins | Molecular Formula | tR (min) |
Monocharged ion [M+H]+ | Bicharged ion [M+H]2+ | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Theor. accurate mass | Exp. accurate Mass | Δ (ppm) | RDBE | Theor. accurate mass | Exp. accurate mass | Δ (ppm) | RDBE | |||
| MC-RR | C49H75N13O12 | 6.63 | 1038.5731 | 1038.5743 | 1.1554 | 17.5 | 519.7902 | 519.7910 | 1.609 | 18 |
| Fragment | C9H11O | 135.0806 | 135.0807 | 0.7403 | 4.5 | |||||
| MC-LR | C49H74N10O12 | 7.56 | 995.5560 | 995.5572 | 1.151 | 17.5 | 498.28166 | 498.28170 | 0.0803 | 17 |
| Fragment | C9H11O | 135.0806 | 135.0808 | 1.4806 | 4.5 | |||||
| MC-YR | C52H72N10O13 | 7.46 | 1045.5353 | 1045.5372 | 1.8380 | 21.5 | 523.2713 | 523.2725 | 0.5813 | 21 |
| Fragment | C9H11O | 135.0806 | 135.0808 | 1.4806 | 4.5 | |||||
Ions from which the fragments were generated are shown in bold