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Table 5 List of annotated cyclic bis-bibenzyls using MAW

From: MAW: the reproducible Metabolome Annotation Workflow for untargeted tandem mass spectrometry

Precursor mass [m/z]

Retention time [s]

Molecular formula

Molecular structure

Name of the compound

Rank

425.176

607.49

C28H26O4

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Perrottetin E

10

439.155

585.88

C28H24O5

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Marchantin H

10

453.167

595.92

C29H26O5

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Marchantin M

2

455.155

220.91

C28H24O6

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Marchantin D

23

471.150

233.23

C28H24O7

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Marchantin F

8

  1. The precursor mass [m/z] and retention time [s] represent the mass of the precursor ions given in mass-to-charge ratio and the median retention time of the precursor ion given in seconds, respectively. The molecular formula and name of the compound are extracted using SIRIUS. The chemical classes of the compounds are extracted from CANOPUS. All the molecular structures are generated via CDK-Depict. The given ranks are from MAW, using the database COCONUT in the compound dereplication module