Table 1. Molecular Formula, Retention Time (tR), Daughter Ions, Parts Per Million Accuracy, and DNP Database Report of Cytochalasinsa.
| molecular formula/calcd [M + H]+ | tR (min) | Δ (ppm) | ionic form | daughter ions | total chromatographic peaks | remark |
|---|---|---|---|---|---|---|
| C30H37NO8 (540.2592) | 20.6, 20.9, 21.1, 23.6, and 24.0 | –7.0 to −0.8 | +H, +NH4, and +Na | 91.05, 105.07, 120.08, 237.12, 402.20, 420.21, 444.21, 480.23, and 502.22 | 5 | two reported27 and three new derivatives of cytochalasin N |
| C30H37NO7 (524.2643) | 22.9, 24.0, 24.3, 24.8, 25.1, 25.9, 26.8, and 27.1 | –6.5 to 0.30 | +H, +NH4, and +Na | 91.05, 105.07, 120.08, 239.14, 386.21, 404.22, 428.22, 446.23, and 486.22 | 8 | all reported cytochalasins28 |
| C30H37NO6 (508.2694) | 24.5, 26.0, 27.5, 27.7,28.3, 28.7, 29.4, 29.9, 30.4, and 31.4 | –5.0 to −0.7 | +H, +NH4, and +Na | 91.055, 105.07, 120.08, 237.16, 265.16, 374.24, 402.24, 430.23, and 470.23 | 10 | eight reported28 and at least two new derivatives of cytochalasin C |
| C30H39NO7 (526.2799) | 21.6, 22.6, 23.1, and 23.1 | –4.5 to −0.8 | +H, +NH4, and +Na | 91.05, 105.07, 120.08, 239.14, 412.22, 430.23, 448.25, 470.23, and 488.24 | 4 | two reported28 and two new derivatives of cytochalasin P |
| C32H41NO9 (584.2854) | 21.8, 25.6, and 32.2 | –2.5 to 2.0 | +H, +NH4, and +Na | 91.05, 105.07, 120.08, 239.14, 386.21, 404.22, 428.23, 446.23, and 546.24 | 3 | three new acetylated derivatives of epoxycytochalasin C |
| C30H39NO8 (542.2748) | 17.5, 19.4, 19.8, and 20.3 | –6.0 to −0.8 | +H, +NH4, and +Na | 91.05, 105.07, 120.08, 239.13, 386.21, 404.22, 422.23, 446.23, 464.24, and 504.23 | 4 | one reported28 with three new derivatives of cytochalasin P1 |
| C30H39NO6 (510.2850) | 25.1, 26.5, 27.1, and 28.2 | –4.5 to −0.5 | +H, +NH4, and +Na | 91.05, 105.07, 120.08, 237.16, 384.23, 402.24, 430.23, and 470.22 | 4 | one reported28 with three new derivatives of cytochalasin Z11 |
| total | 38 | A total of 22 reported and 16 identified as new cytochalasins |
a
Abbreviations: Δ (ppm) = change in parts per million from the exact mass, m/z = mass-to-charge ratio, calcd = calculated, and tR = retention time. For the EIC (extracted ion chromatogram), mass accuracy, and tandem MS spectra, see Figures S2–S26 for MS/MS spectra.