Weighting Low-Intensity MS/MS Ions and <i>m</i>/<i>z</i> Frequency for Spectral Library Annotation-Reference-Cited by-同舟云学术

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Weighting Low-Intensity MS/MS Ions and m/z Frequency for Spectral Library Annotation

Published:2024-01-25 Issue:2 Volume:35 Page:266-274
ISSN:1044-0305
Container-title:Journal of the American Society for Mass Spectrometry
language:en
Short-container-title:J. Am. Soc. Mass Spectrom.

Author:

Engler Hart Chloe¹,Kind Tobias¹^ORCID,Dorrestein Pieter C.²^ORCID,Healey David¹,Domingo-Fernández Daniel¹

Affiliation:

1. Enveda Biosciences, 5700 Flatiron Parkway, Boulder, Colorado 80301, United States

2. Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, California 92093, United States

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/jasms.3c00353

Reference22 articles.

1. Mass spectrometry-based metabolomics: a guide for annotation, quantification and best reporting practices

2. The Chemical Space Project

3. MS2DeepScore: a novel deep learning similarity measure to compare tandem mass spectra

4. Spectral entropy outperforms MS/MS dot product similarity for small-molecule compound identification

5. Comparison of Cosine, Modified Cosine, and Neutral Loss Based Spectrum Alignment For Discovery of Structurally Related Molecules

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