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. Author manuscript; available in PMC: 2023 Jun 18.
Published in final edited form as: Nat Biotechnol. 2022 Jul 7;40(12):1774–1779. doi: 10.1038/s41587-022-01368-1

Figure 1. The concept of reference data-driven based analysis workflow.

Figure 1.

1 - Perform spectral alignment of the MS/MS based untargeted metabolomics data from human biospecimens with data from reference samples that have controlled vocabularies for metadata. This can, optionally, be combined with MS/MS libraries. 2 - link the spectral matches to the source information from the metadata from the reference samples. Create a data table of source ontology, human biospecimen and counts to enable data science and interpretation.