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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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Title	Supporting Information for "AminoacidDB: A liquid chromatography-tandem mass spectrometry-based toolkit for untargeted analysis of non-protein amino acids"
Creator	Sandhu, Pawanjit; Giebelhaus, Ryland; Hayward, Ryan; Zhao, Tingting; Tucker, Alix; Gaudet, Daniel; Huan, Tao; Murch, Susan
Contributor	Sandhu, Pawanjit
Date Issued	2025-10-22
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/.
Subject	Chemistry; Non-protein amino acid; metabolite identification; untargeted metabolomics; metabolomics database; amino acid derivatization
Type	Dataset
Date Available	2025-10-21
Provider	University of British Columbia Library
License	CC-BY 4.0
DOI	10.14288/1.0450512
URI	https://doi.org/10.5683/SP3/DTAZ1G
Publisher DOI	https://doi.org/10.5683/SP3/DTAZ1G
Rights URI	http://creativecommons.org/licenses/by/4.0
Aggregated Source Repository	Dataverse

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CC-BY 4.0