Combining Fragment-Ion and Neutral-Loss Matching during Mass Spectral Library Searching: A New General Purpose Algorithm Applicable to Illicit Drug Identification-Reference-Cited by-同舟云学术

Combining Fragment-Ion and Neutral-Loss Matching during Mass Spectral Library Searching: A New General Purpose Algorithm Applicable to Illicit Drug Identification

Published:2017-12-01 Issue:24 Volume:89 Page:13261-13268
ISSN:0003-2700
Container-title:Analytical Chemistry
language:en
Short-container-title:Anal. Chem.

Author:

Moorthy Arun S.¹^ORCID,Wallace William E.¹,Kearsley Anthony J.²,Tchekhovskoi Dmitrii V.¹,Stein Stephen E.¹

Affiliation:

1. Mass Spectrometry Data Center, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States

2. Applied and Computational Mathematics Division, National Institute of Standards and Technology, Gaithersburg, Maryland 20899, United States

Publisher

American Chemical Society (ACS)

Subject

Analytical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.analchem.7b03320

Reference24 articles.

1. Mass Spectral Reference Libraries: An Ever-Expanding Resource for Chemical Identification

2. Punched Card Catalog of Mass Spectra Useful in Qualitative Analysis

3. Evaluating electron ionization mass spectral library search results

4. Probability based matching of mass spectra. Rapid identification of specific compounds in mixtures

5. Estimating probabilities of correct identification from results of mass spectral library searches

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