Creation and Filtering of a Recurrent Spectral Library of CHO Cell Metabolites and Media Components.

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TitleCreation and Filtering of a Recurrent Spectral Library of CHO Cell Metabolites and Media Components.
Publication TypeJournal Article
Year of Publication2021
AuthorsTelu, KH, Marupaka, R, Andriamaharavo, NR, Simón-Manso, Y, Liang, Y, Mirokhin, YA, Bukhari, TH, Preston, RJ, Kashi, L, Kelman, Z, Stein, SE
JournalBiotechnol Bioeng
Date Published2021 Jan 06
ISSN1097-0290
Abstract

This paper reports the first implementation of a new type of mass spectral library for the analysis of Chinese hamster ovary (CHO) cell metabolites that allows users to quickly identify most compounds in any complex metabolite sample. We also describe an annotation methodology developed to filter out artifacts and low-quality spectra from recurrent unidentified spectra of metabolites. CHO cells are commonly used to produce biological therapeutics. Metabolic profiles of CHO cells and media can be used to monitor process variability and look for markers that discriminate between batches of product. We have created a comprehensive library of both identified and unidentified metabolites derived from CHO cells that can be used in conjunction with tandem mass spectrometry to identify metabolites. In addition, we present a workflow that can be used for assigning confidence to a NIST MS/MS Library search match based on prior probability of general utility. The goal of our work is to annotate and identify (when possible), all liquid chromatography mass spectrometry (LC-MS) generated metabolite ions as well as create automatable library building and identification pipelines for use by others in the field. This article is protected by copyright. All rights reserved.

DOI10.1002/bit.27661
Alternate JournalBiotechnol Bioeng
PubMed ID33404064