Characterization of MS2 features derived from the non-polar metabolite UHPLC-QTOF dataset of Jaspis sp. collected from the waters off Pulau Banggi, Sabah, Malaysia: UHPLC-QTOF Dataset

Description

This dataset contains a list of MS2 features detected from the metabolite survey of Jaspis sp. isolated from the waters Pulau Banggi, Sabah, Malaysia. The frozen Jaspis sp. was freeze dried and homogenized, after which the non-polar metabolites were extracted using Folch's extraction buffer with modifications. The extracted non-polar metabolites, blank, and non-polar phase of the extraction buffer were subjected to UHPLC-QTOF profiling in both positive and negative modes. After removing the MS2 features detected in the Jaspis sp. sample that were also detected in the blank and non-polar phase of the extraction buffer, the remaining detected MS2 features were clustered and the representative MS2 features (with the highest detected intensity) were tentatively identified using a combination of MS2 spectral database search (with various MS2 spectral databases) as well in silico compound identification.

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