Published March 5, 2024 | Version v1
Dataset Open

Tandem Mass Spectrometry Dataset for Machine Learning in Metabolomics

  • 1. ROR icon University of California, Riverside
  • 2. ROR icon Wageningen University & Research
  • 3. ROR icon Universidad San Pablo CEU
  • 4. ROR icon Masaryk University
  • 5. ROR icon Hochschule Düsseldorf University of Applied Sciences

Description

This dataset contains tandem mass spectrometry data cleaned and processed from the publicly available GNPS Spectral Library. We aim to continuously update this dataset with new data points as the spectral libraries expand.

Files

GNPS_Cleaning_ALL_GNPS.csv

Files (6.2 GB)

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