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. 2022 Nov 16;7(47):43068–43083. doi: 10.1021/acsomega.2c05415

Table 1. ESI-MS2 Data of Identified or Annotated Bromotyrosine Spiroisoxazolines Present in the Sponge Extract and Reproducibly Detected as EMs.

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a

The cluster index identifies nodes in the GNPS molecular network, the most intense peak of the isotopic pattern was used for feature codification.

b

Single node.

c

The monoisotopic peak was selected for molecular formula determination.

d

Major MS2 fragments and their intensities were selected using the GNPS Metabolomics USI tool. N = noisy MS2 spectra.

e

Confidence level of metabolite identification according to Schymansky et al.62 See Supporting Information S6.