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Published August 24, 2022 | Version v1
Journal article Open

Drug plus - a pharmaceutical LC-MS/MS spectral database

Authors/Creators

  • 1. Liu

Description

LC-MS/MS spectral database of 1,959 drug substances and their potential drug impurities/degradants (1,600). The spectral database can be downloaded in RData (R object, can be used directly as input library for meRgeION), mgf (mascot generic format used in GNPS) and NIST msp format (used for MassBank). Drug structures, chemical classes, and experimental details of database items can be found in lib_consensus_metadata.csv.

Files

lib_consensus_metadata.csv

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