DnsID in MyCompoundID for rapid identification of dansylated amine- and phenol-containing metabolites in LC-MS-based metabolomics

Analytical Chemistry
Tao HuanLiang Li

Abstract

High-performance chemical isotope labeling (CIL) liquid chromatography-mass spectrometry (LC-MS) is an enabling technology based on rational design of labeling reagents to target a class of metabolites sharing the same functional group (e.g., all the amine-containing metabolites or the amine submetabolome) to provide concomitant improvements in metabolite separation, detection, and quantification. However, identification of labeled metabolites remains to be an analytical challenge. In this work, we describe a library of labeled standards and a search method for metabolite identification in CIL LC-MS. The current library consists of 273 unique metabolites, mainly amines and phenols that are individually labeled by dansylation (Dns). Some of them produced more than one Dns-derivative (isomers or multiple labeled products), resulting in a total of 315 dansyl compounds in the library. These metabolites cover 42 metabolic pathways, allowing the possibility of probing their changes in metabolomics studies. Each labeled metabolite contains three searchable parameters: molecular ion mass, MS/MS spectrum, and retention time (RT). To overcome RT variations caused by experimental conditions used, we have developed a calibration method to ...Continue Reading

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Citations

Oct 13, 2016·Omics : a Journal of Integrative Biology·Tao HuanChun Wai Chan
Nov 10, 2018·The Analyst·Michaela SchwaigerGunda Koellensperger
Nov 11, 2019·Rapid Communications in Mass Spectrometry : RCM·Yunong Li, Liang Li
Sep 8, 2017·Movement Disorders : Official Journal of the Movement Disorder Society·Wei HanLiang Li
Sep 4, 2018·Journal of Alzheimer's Disease : JAD·Tao HuanLiang Li
Sep 12, 2017·Metabolomics : Official Journal of the Metabolomic Society·Rachel SpicerChristoph Steinbeck
Jan 1, 2021·Frontiers in Molecular Biosciences·Xinyun GuAhmad Aljada
Jan 5, 2021·Metabolomics : Official Journal of the Metabolomic Society·Afshan MasoodAnas M Abdel Rahman
Feb 10, 2021·Critical Reviews in Analytical Chemistry·Vladimir G Zaikin, Roman S Borisov
Mar 6, 2021·Frontiers in Pharmacology·Shereen M AleidiAnas M Abdel Rahman
Jul 13, 2021·Journal of Pharmaceutical and Biomedical Analysis·Xuan LuLanjuan Li

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