¹³C Metabolomics: NMR and IROA for Unknown Identification.

ABSTRACT:

Abstract background

Isotopic Ratio Outlier Analysis (IROA) is an untargeted metabolomics method that uses stable isotopic labeling and LC-HRMS for identification and relative quantification of metabolites in a biological sample under varying experimental conditions.

Objective

We demonstrate a method using high-sensitivity ¹³C NMR to identify an unknown metabolite isolated from fractionated material from an IROA LC-HRMS experiment.

Methods

IROA samples from the nematode Caenorhabditis elegans were fractionated using LC-HRMS using 5 repeated injections and collecting 30 sec fractions. These were concentrated and analyzed by ¹³C NMR.

Results

We isotopically labeled samples of C. elegans and collected 2 adjacent LC fractions. By HRMS, one cont

SUBMITTER: Clendinen CS 

PROVIDER: S-EPMC5204070 | biostudies-literature | 2016 Aug

REPOSITORIES: biostudies-literature