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Squared Energy-Resolved Mass Spectrometry Advances Quantitative Bile Acid Submetabolome Characterization
Cao, Yan1; Li, Wei1; Chen, Wei1; Niu, Xiaoya1; Wu, Nian1; Wang, Yitao2; Li, Jun1; Tu, Pengfei1; Zheng, Jiao1; Song, Yuelin1,2
2022-11-08
Source PublicationAnalytical Chemistry
ISSN0003-2700
Volume94Issue:44Pages:15395-15404
Abstract

The bile acid (BA) submetabolome can partially reflect either physiological or pathological status of vertebrates. The structural diversity, however, extensively hinders BA submetabolome clarification. Here, efforts were primarily devoted to enhance structural annotation confidences of BAs, in particular the conjugated BAs, through fortifying a new technology, namely, squared energy-resolved mass spectrometry (ER-MS), to traditional liquid chromatography with tandem mass spectrometry (LC-MS/MS). Because of possessing two tandem-in-space collision cells, namely, q2 and linear ion trap (LIT) chambers, Qtrap-MS was employed as the fit-for-purpose tool to conduct ER-MS measurements. The first ER-MS was undertaken in a q2 cell to gain first-generation breakdown graphs to disclose conjugation sites via applying the multiple-reaction monitoring (MRM) program, and the second ER-MS was accomplished in a LIT chamber through programming MRM cubed to acquire second-generation breakdown graphs of concerned ions for scaffold characterization. An authentic BA library consisting of commercial BAs together with their in vitro metabolites was built to record a reference breakdown graph set. Moreover, the so-called universal metabolome standard sample that was prepared by pooling diverse BA-enriched matrices was applied for structural deciphering potential evaluation and quasi-quantitative analysis of all detected BAs as well, according to applying a well-defined quasi-content concept. High-confidence structural analysis was achieved for as many as 201 BAs, and significant impacts occurred for the BA submetabolome of HepG2 cells after lithocholic acid treatment. Together, ER-MS provides a promising tool to promote, although not limited to, LC-MS/MS-based BA-targeted metabolomics.

DOI10.1021/acs.analchem.2c03269
URLView the original
Indexed BySCIE
Language英語English
WOS Research AreaChemistry
WOS SubjectChemistry, Analytical
WOS IDWOS:000884106100001
Scopus ID2-s2.0-85141020791
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Cited Times [WOS]:0   [WOS Record]     [Related Records in WOS]
Document TypeJournal article
CollectionInstitute of Chinese Medical Sciences
Affiliation1.Modern Research Center for Traditional Chinese Medicine, School of Chinese Materia Medica, Beijing University of Chinese Medicine, Beijing, East Road of North 3rd Ring, Chaoyang District, 100029, China
2.State Key Laboratory of Quality Research in Chinese Medicine, Institute of Chinese Medical Sciences, University of Macau, Taipa, Avenida da Universidade, 999078, Macao
Recommended Citation
GB/T 7714
Cao, Yan,Li, Wei,Chen, Wei,et al. Squared Energy-Resolved Mass Spectrometry Advances Quantitative Bile Acid Submetabolome Characterization[J]. Analytical Chemistry,2022,94(44):15395-15404.
APA Cao, Yan,Li, Wei,Chen, Wei,Niu, Xiaoya,Wu, Nian,Wang, Yitao,Li, Jun,Tu, Pengfei,Zheng, Jiao,&Song, Yuelin.(2022).Squared Energy-Resolved Mass Spectrometry Advances Quantitative Bile Acid Submetabolome Characterization.Analytical Chemistry,94(44),15395-15404.
MLA Cao, Yan,et al."Squared Energy-Resolved Mass Spectrometry Advances Quantitative Bile Acid Submetabolome Characterization".Analytical Chemistry 94.44(2022):15395-15404.
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