Supporting Information for "AminoacidDB: A liquid chromatography-tandem mass spectrometry-based toolkit for untargeted analysis of non-protein amino acids"

Sandhu, Pawanjit;Giebelhaus, Ryland;Hayward, Ryan;Zhao, Tingting;Tucker, Alix;Gaudet, Daniel;Huan, Tao;Murch, Susan

Description

Raw LC-MS/MS files for method optimization, validation and proof-of-concept experiments for development of aminoacidDB, a free web-tool for putative identification of non-protein amino acids from mass spectrometry datasets. The tool is publicly available at https://aminoacidsdb.rs-dev.uvic.ca/.

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Publication Details

DOI

10.5683/sp3/dtaz1g

Publisher

Borealis

Keywords

ChemistryNon-protein amino acidmetabolite identificationuntargeted metabolomicsmetabolomics databaseamino acid derivatization