Table 3.
Selected metabolites found in positive and negative ionization modes in Vibrio splendidus strain LGP32. (P = positive mode; N = negative mode).
| Peak ID | ESI Mode |
m/z | Rt (min) | Molecular Formula (Isotope Fit Score A0 to A3) |
RDB | Hits | Fragment Ions MS2 | Molecular Formula | RDB | Fragment ions MS3 | Molecular Formula | RDB |
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | P | 219.12266 | 9.8 | C10H18O5 (99.97%) |
2 | (4E)-6,7,9-Trihydroxydec-4-enoic acid | 173.08047 133.08556 115.07513 87.04388 73.06467 |
C8H13O4 C6H13O3 C6H11O2 C4H7O2 C4H9O |
3 1 2 2 1 |
|||
| 2 | P | 305.1590 | 12.9 | C14H24O7 (99.99%) |
3 | No hits | 259.11685 219.12209 173.08040 155.06985 133.08549 115.07516 87.04391 |
C12H19O6 C10H19O5 C8H13O4 C8H11O3 C6H13O3 C6H11O2 C4H7O2 |
4 2 3 4 1 3 2 |
|||
| 3 | P | 408.22407 | 15.2 | C18H33O9N (Ammonium adduct of C18H31O9) (60.57%) |
3 | No hits | 392.19974 305.15979 259.11786 219.12292 |
undetermined C14H25O7 C12H19O6 C10H19O5 |
3 4 2 |
|||
| 3 | P | 408.22407 | 15.2 | C19H29O5N5 (99.50%) |
8 | No hits | 392.19969 305.15978 259.11783 219.12292 |
undetermined C15H21O3N4 C13H15O2N4 C10H1905 |
8 9 2 |
173.08086 155.07023 133.08593 115.07541 |
C8H13O4 C8H11O3 C6H1303 C6H11O2 |
3 4 1 2 |
| 4 | P | 494.25967 | 17.0 | C22H39O11N (Ammonium adduct of C22H37O11) (99.97%) |
4 | No hits | 477.23270 | C22H37O11 | 5 | 459.22238 431.19101 373.18582 345.15396 305.15924 259.11740 219.12263 155.07021 |
C22H35O10 C20H31O10 C18H29O8 C16H25O8 C14H25O7 C12H19O6 C10H19O5 C8H11O3 |
6 6 5 5 3 4 2 3 |
| 5 | P | 580.2965 | 18.5 | C26H45O13N (Ammonium adduct of C26H43O13) (99.96%) |
5 | No hits | 563.26880 477.23288 431.19122 345.15424 305.15945 |
C26H43O13 C22H37O11 C20H31O10 C16H25O8 C14H25O7 |
6 5 6 5 3 |
259.11752 219.12265 155.07025 |
C12H19O6
C10H19O5 C8H11O3 |
4
2 4 |
| 6 | P | 448.2180 | 18.8 | C20H33O10N (Ammonium adduct of C20H30O10) (91.50%) |
5 | No hits | 431.18991 345.15372 259.11725 241.10663 155.07002 |
C20H31O10 C16H25O8 C12H19O6 C12H17O5 C8H11O3 |
6 5 4 5 4 |
|||
| 7 | P | 534.2550 | 19.4 | C24H39O12N (Ammonium adduct of C24H37O12) (99.13%) |
6 | No hits | 517.22723 431.19070 345.15402 259.11737 241.10681 155.07013 |
C24H37O12 C20H31O10 C16H25O8 C12H19O6 C12H17O5 C8H11O |
7 6 5 4 5 4 |
|||
| 7 | P | 534.2550 | 19.4 | C25H35O8N5 (71.66%) |
11 | Oxyplicacetin; 3′-Hydroxy-plicacetin |
517.22723 431.19070 345.15402 259.11737 241.10681 |
C25H33O8N4 C21H27O6N4 C17H21O4N4 C10H17O5N3 C10H15O4N3 |
12 11 10 4 5 |
|||
| 8 | N | 269.13940 | 12.3 | C14H22O5 (99.99%) |
5 | No hits | 251.12892 225.14969 |
C14H19O4 C13H21O3 |
6 4 |
|||
| 9 | N | 405.24944 | 19.3 | C20H38O8 (99.92%) |
3 | No hits | 359.24274 267.19690 |
C19H35O6 C16H27O3 |
3 4 |
|||
| 10 | N | 285.20719 | 21.5 | C16H30O4 (88.36%) |
3 | Hexadecanedioic acid/ethyl plakortide Z/ethyl didehydro-seco-plakortide Z | 267.19641 | C16H27O3 | 4 | 125.09721 141.12836 185.11803 223.20638 |
C8H13O C9H17O C10H17O3 C15H27O |
3 2 3 3 |