Skip to main content

Table 2 aMFs present in at least one ST or MC sample per sponge species. CAS RN refers to the registration number in the Chemical Abstract Service database, while match score refers to annotation confidence (cosine score between the experimental MS/MS spectra and the reference library MS/MS spectra). These spectral annotations correspond to level 2 based on MSI standards and could correspond to stereoisomers or closely related isomers

From: Comparative metabolomic analysis reveals shared and unique chemical interactions in sponge holobionts

MF id

aMFs putatively annotated by GNPS workflow

CAS RN

Sample type

Match score

X21343

Didodecyl 3,3′-thiodipropionate oxide

17243140

ST

0.98

X2554

2-Methylbutyryl-carnitine

256928753

ST

0.73

X3329

Phe-Pro

N/A

ST

0.98

X6702

Hymenialdisine

N/A

ST

0.66

X8196

Eicosatrienoic acid methyl ester

21061109

ST

0.69

X1253

Val-Pro

N/A

MC

0.94

X20687

Didodecyl 3,3′-thiodipropionate (DLTDP)

123284

MC

0.99

X7396

Docosatetraenoic acid

28874580

MC

0.90