Table 2 Main compounds (>20% relative intensity) putatively identified in all Mytilus spp. extracts using UHPLC-HRMS.

From: Combined genotyping, microbial diversity and metabolite profiling studies on farmed Mytilus spp. from Kiel Fjord

Peak number

m/z [M + H]+ (exp.)

m/z [M + H]+ (calc.)

Molecular formula

Δ ppm

Common (trivial) name

Chemical class

22

553.2822

553.2815

C32H40O8

0.5

Tetronolide

Macrolide

39

567.2967

567.2971

C34H38N4O4

1.1

Corallistin B

Porphyrin pigment

43

553.2552

533.2553

C33H32N4O3

0.2

Chlorophyllone a

Tetrapyrrole

44

535.2703

535.2709

C33H34N4O3

1.1

Pyropheophorbide a

Tetrapyrrole

45

565.2457

565.4046

C40H52O2

>5.0*

Alloxanthin analogue

Carotenoid

46a, 46b

521.2553

521.255

C32H32N4O3

0

Okaramine A or H

Indole diketopiperazine

48, 49

621.3923

621.3944

C35H56O9

>5.0*

9-Hydroxy-bafilomycin D

Macrolide

  1. m/z [M + H] + (exp.): experimentally determined (obtained from base peak chromatograms), m/z [M + H] + (calc.): calculated from the assigned molecular formula, *peak in saturation (not possible to determine a ppm error below 5.0).
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