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. 2019 Jan 30;9:993. doi: 10.1038/s41598-018-38177-z

Table 2.

Chemomarkers responsible for the difference according to sites in Lobophora rosacea, Lobophora sonderii and Lobophora obscura (ion [M + NH4]+).

Ion Ion m/z RT (s) Molecular formula Diff. ppm Score MFG Species
M230T256 230.2473 256 C14H28O 3.26 93.86 L. rosacea & L. sonderii
M242T309 242.2841 309 C16H32 −0.15 89.47 L. rosacea
M258T310 258.2797 310 C16H32O −1.72 96.4 L. rosacea & L. sonderii
M288T251 288.2904 251 C17H34O2 −0.7 85.64 L. rosacea
M304T338 304.3026 338 C21H34 −2.31 93.08 L. rosacea & L. obscura
M332T377 332.3332 377 C23H38 −5.52 86.36 L. rosacea & L. obscura
M344T346 344.3126 346 C20H38O3 −3.73 89.04 L. rosacea
M368T338 368.3165 338 C22H38O3 −2.23 79.91 L. rosacea & L. sonderii
M370T362 370.3319 362 C22H40O3 1.71 95.11 L. rosacea & L. sonderii

The score MFG (molecular formulas generation) is the MFG overall match score (0–100%) combining the MS and MS/MS scores. For each ion M = molecular weight, T = retention time.