The NOAA IR serves as an archival repository of NOAA-published products including scientific findings, journal articles, guidelines, recommendations, or other information authored or co-authored by NOAA or funded partners.
As a repository, the NOAA IR retains documents in their original published format to ensure public access to scientific information.
i
Ensuring Fact-Based Metabolite Identification in Liquid Chromatography–Mass Spectrometry-Based Metabolomics
-
2023
-
-
Source: Analytical Chemistry, 95(8), 3909-3916
[PDF-1.50 MB]
Details:
-
Journal Title:Analytical Chemistry
-
Personal Author:
-
NOAA Program & Office:
-
Description:Metabolite identification represents a major bottleneck in contemporary metabolomics research and a step where critical errors may occur and pass unnoticed. This is especially the case for studies employing liquid chromatography–mass spectrometry technology, where there is increased concern on the validity of the proposed identities. In the present perspective article, we describe the issue and categorize the errors into two types: identities that show poor biological plausibility and identities that do not comply with chromatographic data and thus to physicochemical properties (usually hydrophobicity/hydrophilicity) of the proposed molecule. We discuss the problem, present characteristic examples, and propose measures to improve the situation.
-
Keywords:
-
Source:Analytical Chemistry, 95(8), 3909-3916
-
DOI:
-
ISSN:0003-2700;1520-6882;
-
Format:
-
Publisher:
-
Document Type:
-
License:
-
Rights Information:CC BY
-
Compliance:Library
-
Main Document Checksum:
-
Download URL:
-
File Type:
