Table 2.
Key high resolution mass spectrometry (HRMS) data for bioactive samples, and proposed structures as shown in the Supplementary Materials file 1.
| Sample | Molecular Ion (m/z) | Molecular Formula | Proposed Structures | Spectra | MS/MS | NMR Analyses |
|---|---|---|---|---|---|---|
| 19,033 † | 326.37813 [M + H]+ |
[C22H48N]+ Calc. = 326.37802 (∆m = 0.11 ppm) RDBE = 0 |
3 | Figure S1 |
Table S2
Figure S11 |
- |
| 20,608 | 332.33115 [M + H]+ |
[C23H42N]+ Calc = 332.33118 (Δm = 0.03 ppm) RDBE = 4 ‡ |
1,2 | Figure S3 |
Table S3
Figure S13 |
- |
| 26,051 | 368.42508 [M + H]+ |
[C25H54N]+ Calc. = 368.42495 (∆m = 0.13 ppm) RDBE = 0 |
4,5 | Figure S5 |
Table S4
Figure S15 |
- |
| 25,663 | 306.0635 [M+Na]+ |
[C18H9ON3] Calc. = 306.0637 (∆m = 0.8 ppm) RDBE = 16 |
6 | Figure S7 | - |
Table S5
Figure S20 |
| 25,663 | 361.9925 [M + H]+ |
[C18H8BrN3O] Calc. = 361.9923 (∆m = 0.5 ppm) RDBE = 16 |
7 | Figure S7 | - |
Table S6 Figure S21 |
| 26,104 | 467.117 [M + H]+ |
[C30H17N2O4] Calc. = 467.118 (∆m = 1.9 ppm) RDBE = 0 |
8 | Figure S9 | - |
Table S7
Figures S22–S25 |
† The same active species was observed for all five fractions SN00760947, SN00760956, SN00732222, SN00734298 and SN00760958. ‡ RDBE = ring or double bond equivalents.