Comparison of two acquisition modes in urine metabolomics by untargeted mass spectrometry

• Published in: Ji chu yi xue yu lin chuang = Jichu yixue yu linchuang = Basic medical sciences and clinics Vol. 41; no. 5; pp. 729 - 734
• Main Author: XIAO Xiao-lian, LIU Xiao-yan, ZHU Wen-feng, YANG Ye-hong, YANG Jun-tao, SUN Wei
• Format: Journal Article
• Language: Chinese
• Published: Institute of Basic Medical Sciences and Peking Union Medical College Hospital, Chinese Academy of Medical Sciences / Peking Union Medical College 01.05.2021
• Subjects: untargeted metabolomics|full scan acquisition(fsa)|data dependent acquisition(dda)
• ISSN: 1001-6325

Objective To compare the advantages and disadvantages of full scan acquisition (FSA) mode and data dependent acquisition (DDA) mode for untargeted metabolomic analysis. Methods Qualitative and quantitative results of two acquisition methods were compared by using a standard mixture of 9 metabolites and human urine sample. Results In the analysis of standard sample, the metabolite abundance in FSA mode was about 2.36 times higher than that in DDA mode (P＜0.05), the CV of metabolites abundance ranged from 2.14% to 11.20% in DDA mode and from 0.81% to 6.35% in FSA mode. In the analysis of urine sample, there was no statistical difference in the number of spectra and metabolite feature between FSA mode and DDA mode. When injecting 1, 2 and 4 μL, the number of metabolites identified by FSA mode was 9.5％, 1.9％ and 10％ higher than those identified by DDA mode, respectively. And the median CV of metabolite abundance analyzed by FSA(7.1％,3.0％ and 2.6％)was significantly lower than that by DDA(10.3％, 7.0% and 6.5%). Whe