Modified metabolites mapping by liquid chromatography-high resolution mass spectrometry using full scan/all ion Cheek for fragmentation/neutral loss acquisition

Li, Hua1; Qin, Qian2,4; Shi, Xianzhe2; He, Jun3; Xu, Guowang2

2019-01-04

10.1016/j.chroma.2018.11.014

JOURNAL OF CHROMATOGRAPHY A   影响因子和分区

0021-9673

1873-3778

Modified metabolites play important roles in diagnostic monitoring, oxidative response and physiological regulation. Comprehensive analytical methods are greatly needed for improving the coverage of modified metabolites and studying their physiological function. Here, a novel nontargeted profiling method for mapping modified metabolites was developed by liquid chromatography-high resolution mass spectrometry with full scan/all ion fragmentation/neutral loss (FS/AIF/NL) data acquisition. Modified metabolites were unbiasedly defined with less false positive results by mixed standards verification. Thirteen types of modified metabolites in urine were analyzed at the same time, and 198 of 307 modified metabolites at positive mode and 166 of 366 modified metabolites at negative mode were putatively identified. The modified metabolites profiling method was applied for investigating the metabolic differences between the patients with breast cancer and health controls. As a result, many modified metabolites with glu-curonidation, ribosylation and indole acetylation modification were significantly up-regulated in breast cancer and four modified metabolites including 7-methylguanosine, N-4-acetylcytidine, dihyroxy-1H-indole glucuronide I and indole-3-acetic acid-O-glucuronide were identified as potential biomarkers for the diagnose of breast cancer. (C) 2018 Elsevier B.V. All rights reserved.

Modified metabolites All ion fragmentation Neutral loss Nontargeted analysis Metabolomics

SCI ; EI

英语

第一

National Natural Science Foundation of China[21575142] ; National Natural Science Foundation of China[21505132] ; National Natural Science Foundation of China[21705147] ; National Natural Science Foundation of China[21435006]

Biochemistry & Molecular Biology ; Chemistry

Biochemical Research Methods ; Chemistry, Analytical

WOS:000455692100010

ELSEVIER SCIENCE BV

20184706128550

Acetylation ; Data acquisition ; Diagnosis ; Diseases ; Ions ; Liquid chromatography ; Mapping ; Mass spectrometry ; Metabolites ; Physiological models ; Physiology ; Polycyclic aromatic hydrocarbons

Surveying:405.3 ; Medicine and Pharmacology:461.6 ; Biology:461.9 ; Data Processing and Image Processing:723.2 ; Chemistry:801 ; Chemical Reactions:802.2 ; Organic Compounds:804.1

CHEMISTRY

Web of Science

1.Southern Univ Sci & Technol, Mat Characterizat & Preparat Ctr, Shenzhen 518055, Peoples R China
2.Chinese Acad Sci, Dalian Inst Chem Phys, CAS Key Lab Separat Sci Analyt Chem, Dalian 116023, Peoples R China
3.Shekou Peoples Hosp, Dept clin lab, Shenzhen 518052, Peoples R China
4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China

Li, Hua,Qin, Qian,Shi, Xianzhe,et al. Modified metabolites mapping by liquid chromatography-high resolution mass spectrometry using full scan/all ion Cheek for fragmentation/neutral loss acquisition[J]. JOURNAL OF CHROMATOGRAPHY A,2019,1583:80-87.

Li, Hua,Qin, Qian,Shi, Xianzhe,He, Jun,&Xu, Guowang.(2019).Modified metabolites mapping by liquid chromatography-high resolution mass spectrometry using full scan/all ion Cheek for fragmentation/neutral loss acquisition.JOURNAL OF CHROMATOGRAPHY A,1583,80-87.

Li, Hua,et al."Modified metabolites mapping by liquid chromatography-high resolution mass spectrometry using full scan/all ion Cheek for fragmentation/neutral loss acquisition".JOURNAL OF CHROMATOGRAPHY A 1583(2019):80-87.