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A tandem mass spectrometric study of bile acids: Interpretation of fragmentation pathways and differentiation of steroid isomers
Qiao, Xue1; Ye, Min1; Liu, Chun-fang1; Yang, Wen-zhi1; Miao, Wen-juan1; Dong, Jing2; Guo, De-an1
关键词Bile acid Fragmentation pathway Steroids Tandem mass spectrometry
刊名STEROIDS
2012-02-01
DOI10.1016/j.steroids.2011.11.008
77期:3页:204-211
收录类别SCI
文章类型Article
WOS标题词Science & Technology
类目[WOS]Biochemistry & Molecular Biology ; Endocrinology & Metabolism
研究领域[WOS]Biochemistry & Molecular Biology ; Endocrinology & Metabolism
关键词[WOS]COLLISION-INDUCED DISSOCIATION ; PRESSURE CHEMICAL-IONIZATION ; ELECTROSPRAY-IONIZATION ; ANABOLIC-STEROIDS ; ESI-MS/MS ; IDENTIFICATION ; MS ; METABOLITES ; HPLC ; SPECTRA
英文摘要

Bile acids are steroids with a pentanoic acid substituent at C-17. They are the terminal products of cholesterol excretion, and play critical physiological roles in human and animals. Bile acids are easy to detect but difficult to identify by using mass spectrometry due to their poly-ring structure and various hydroxylation patterns. In this study, fragmentation pathways of 18 free and conjugated bile acids were interpreted by using tandem mass spectrometry. The analyses were conducted on ion trap and triple quadrupole mass spectrometers. Upon collision-induced dissociation, the conjugated bile acids could cleave into glycine or taurine related fragments, together with the steroid skeleton. Fragmentations of free bile acids were further elucidated, especially by atmospheric pressure chemical ionization mass spectrometry in positive ion mode. Aside from universally observed neutral losses, eliminations occurred on bile acid carbon rings were proposed for the first time. Moreover, four isomeric 5 beta-cholanic acid hydroxyl derivatives (3 alpha,6 alpha-, 3 alpha,7 beta-, 3 alpha,7 alpha-, and 3 alpha,12 alpha-) were differentiated using electrospray ionization in negative ion mode: 3 alpha,7 beta-OH substituent inclined to eliminate H2O and CH2O2 groups; 3 alpha,6 alpha-OH substituent preferred neutral loss of two H2O molecules; 3 alpha,12 alpha-OH substituent apt to lose the carboxyl in the form of CO2 molecule; and 3 alpha,7 alpha-OH substituent exhibited no further fragmentation after dehydration. This study provided specific interpretation for mass spectra of bile acids. The results could contribute to bile acid analyses, especially in clinical assays and metabonomic studies. (C) 2011 Elsevier Inc. All rights reserved.

语种英语
WOS记录号WOS:000300523000005
项目编号985-2-119-121 ; 81173644
资助机构Peking University Health Science Center ; National Natural Science Foundation of China
引用统计
被引频次:21[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.bjmu.edu.cn/handle/400002259/65631
专题北京大学药学院
北京大学药学院_天然药物学系
作者单位1.Peking Univ, Sch Pharmaceut Sci, State Key Lab Nat & Biomimet Drugs, Beijing 100191, Peoples R China
2.Shimadzu Int Trading Shanghai Co Ltd, Beijing Off, Beijing 100020, Peoples R China
推荐引用方式
GB/T 7714
Qiao, Xue,Ye, Min,Liu, Chun-fang,et al. A tandem mass spectrometric study of bile acids: Interpretation of fragmentation pathways and differentiation of steroid isomers[J]. STEROIDS,2012,77(3):204-211.
APA Qiao, Xue.,Ye, Min.,Liu, Chun-fang.,Yang, Wen-zhi.,Miao, Wen-juan.,...&Guo, De-an.(2012).A tandem mass spectrometric study of bile acids: Interpretation of fragmentation pathways and differentiation of steroid isomers.STEROIDS,77(3),204-211.
MLA Qiao, Xue,et al."A tandem mass spectrometric study of bile acids: Interpretation of fragmentation pathways and differentiation of steroid isomers".STEROIDS 77.3(2012):204-211.
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