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GNPS-Adding Open Spectral Data to MassBank and PubChem using Open Source Tools to Support Non-Targeted Exposomics of Mixtures

ABSTRACT: Paper title: Adding Open Spectral Data to MassBank and PubChem using Open Source Tools to Support Non-Targeted Exposomics of Mixtures Author List: Anjana Elapavalore, Todor Kondic, Randolph R. Singh, Benjamin A. Shoemaker, Paul A. Thiessen, Jian Zhang, Evan E. Bolton, Emma L. Schymanski Brief description of the data submitted: RAW Files and peak list files used in this workflow to generate open source spectral records. Supplementary files contain the resulting output CSV files.

INSTRUMENT(S): Q Exactive Orbitrap

ORGANISM(S): Na

SUBMITTER: Anjana Elapavalore

PROVIDER: MSV000091754 | GNPS | Thu Apr 20 03:33:00 BST 2023

REPOSITORIES: GNPS

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