Table 1 Putative annotations for candidate white syndrome disease indicators
From: Coral metabolite gradients affect microbial community structures and act as a disease cue
Putative compounds | Chemical formula | Mono-isotopic mass | PubChem | LC/MS (+) | FT-ICR (−) | ||
|---|---|---|---|---|---|---|---|
Adduct | Δ ppm | adduct | Δ ppm | ||||
17-β-Estradiol-3-glucuronide | C24H32O8 | 448.2097 | HMDB0010317 | [M2 + NH4] | 9 | [M-H] | 0.1 |
Xanthine derivative | C17H20N4O2 | 312.1586 | 128784 | [M + H] | 11 | [M-H] | 2.6 |
Pyridine derivative | C20H33N9O2 | 431.2754 | 90211990 | [M + H] | 6.7 | [M-H] | 2.5 |
Phosphatidyl-inositol | C47H88O16P2 | 970.5547 | CHEBI:17526 | [M + H + NH4] | 10 | NA | NA |
Dihomomethionine | C7H15NO4S | 209.0722 | 90657203 | [M + H] | 4 | [M-H] | 0.4 |
Norspermine | C14H34N6O | 302.2794 | 20681656 | [M + H] | 4 | [M-H] | 0.2 |
