TABLE 1.
Compound identification
| Site | Compound name (CAWG classification)a | Parent ion (m/z)b | Library ion (m/z) | m/z error (ppm)c | Similarity scored | No. of shared peakse | Source(s) | Reference(s) |
|---|---|---|---|---|---|---|---|---|
| 1 | Erucamide (1) | 338.341 | 338.345 | 13.3 | 0.856 | 10 | Synthetic | 47 |
| 1 | Smenospongidine (2) | 310.320 | 310.311 | 24.2 | 0.756 | 7 | Smenospongia sp., Hippospongia sp., Dysidea sp. | 26, 62 |
| 2 | Pheophytin (2) | 871.587 | 871.590 | 2.17 | 0.873 | 5 | Eukaryotic phototrophs | 39 |
| 2 | Staurosporine (1) | 467.220 | 467.210 | 32.1 | 0.872 | 5 | Streptomyces spp., Salinispora sp., ascidians, mollusks | 31, 34–37 |
| 2 | Smenospongidine (2) | 310.329 | 310.311 | 47.6 | 0.749 | 8 | Smenospongia sp., Hippospongia sp., Dysidea sp. | 26, 62 |
| 2 | Erucamide (1) | 338.361 | 338.345 | 37.3 | 0.674 | 8 | Synthetic | 47 |
| 3 | Cocamidopropyl betaine (1) | 343.302 | 343.296 | 17.7 | 0.967 | 4 | Synthetic | 44 |
| 3 | Smenospongidine (2) | 310.305 | 310.311 | 17.9 | 0.838 | 8 | Smenospongia sp., Hippospongia sp., Dysidea sp. | 26, 62 |
| 3 | Erucamide (1) | 338.350 | 338.345 | 5.5 | 0.742 | 9 | Synthetic | 47 |
| 4 | Cocamidopropyl betaine (1) | 343.299 | 343.296 | 8.1 | 0.958 | 3 | Synthetic | 44 |
| 4 | Staurosporine (1) | 467.210 | 467.210 | 1.1 | 0.883 | 6 | Streptomyces spp., Salinispora sp., ascidians, mollusks | 31, 34–37 |
| 4 | Smenospongidine (2) | 310.318 | 310.311 | 22.4 | 0.831 | 4 | Smenospongia sp., Hippospongia sp., Dysidea sp. | 26, 62 |
| 4 | Tetranactin (2) | 815.500 | 815.468 | 30.3 | 0.816 | 20 | Streptomyces sp. | 30 |
| 4 | Erucamide (1) | 338.345 | 338.345 | 14.4 | 0.807 | 8 | Synthetic | 47 |
| 4 | Dinactin (2) | 787.465 | 787.428 | 42.1 | 0.795 | 15 | Streptomyces sp. | 28 |
| 4 | Trinactin (2) | 801.480 | 801.462 | 18 | 0.780 | 10 | Streptomyces sp. | 28 |
| 4 | Monactin (1) | 773.450 | 773.458 | 10.0 | 0.688 | 8 | Streptomyces sp. | 28 |
| 5 | Cocamidopropyl betaine (1) | 343.293 | 343.296 | 8.2 | 0.963 | 3 | Synthetic | 44 |
| 5 | Staurosporine (1) | 467.208 | 467.210 | 6.0 | 0.881 | 5 | Streptomyces spp., Salinispora spp., ascidians, mollusks | 31, 34–37 |
| 5 | Trinactin (2) | 801.359 | 801.462 | 21.6 | 0.804 | 14 | Streptomyces sp. | 28 |
| 5 | Erucamide (1) | 338.351 | 338.345 | 17.2 | 0.795 | 8 | Synthetic | 47 |
| 5 | Smenospongidine (2) | 310.305 | 310.311 | 20.8 | 0.784 | 4 | Smenospongia sp., Hippospongia sp., Dysidea sp. | 31, 34–37 |
| 5 | Tetranactin (2) | 815.441 | 815.468 | 31.4 | 0.763 | 5 | Streptomyces sp. | 28 |
| 5 | Dinactin (2) | 787.392 | 787.3428 | 45.5 | 0.728 | 11 | Streptomyces sp. | 28 |
| 5 | Monactin (1) | 773.450 | 773.458 | 13.7 | 0.653 | 6 | Streptomyces sp. | 28 |
a
Compound names are followed by the CAWG classification (1 or 2).
b
Parent ions detected at the five sites were compared with standards in the GNPS library.
c
m/z error describes the difference between observed parent ion and library spectrum in ppm (which contains both low- and high-resolution data).
d
GNPS-generated similarity score is a metric from 0 to 1, with >0.65 considered a positive match.
e
Number of shared peaks indicates the number of MS/MS fragments that matched between library and parent ion fragmentation spectra.