학술논문
Systems-Level Annotation of a Metabolomics Data Set Reduces 25000 Features to Fewer than 1000 Unique Metabolites
Document Type
Report
Author
Source
Analytical Chemistry. Oct 3, 2017, Vol. 89 Issue 19, p10397, 10 p.
Subject
Language
English
ISSN
0003-2700
Abstract
When using liquid chromatography/mass spectrometry (LC/MS) to perform untargeted metabolomics, which is routine to detect tens of thousands of features from biological samples. An upper bound is placed on the number of unique metabolites detected in Escherichia coli samples analyzed with one untargeted metabolomics method. The creDBle database, which contains accurate mass, retention time, and MS/MS fragmentation data as well as annotations of all credentialed features, is introduced.