Measurement of very low-molecular weight metabolites by traveling wave ion mobility and its use in human urine samples

扫码查看

原文链接

国家科技期刊平台
NETL
NSTL
万方数据

外文摘要：The collision cross-sections(CCS)measurement using ion mobility spectrometry(IMS)in combination with mass spectrometry(MS)offers a great opportunity to increase confidence in metabolite identifi-cation.However,owing to the lack of sensitivity and resolution,IMS has an analytical challenge in studying the CCS values of very low-molecular-weight metabolites(VLMs ≤ 250 Da).Here,we describe an analytical method using ultrahigh-performance liquid chromatography(UPLC)coupled to a traveling wave ion mobility-quadrupole-time-of-flight mass spectrometer optimized for the measurement of VLMs in human urine samples.The experimental CCS values,along with mass spectral properties,were reported for the 174 metabolites.The experimental data included the mass-to-charge ratio(m/z),retention time(RT),tandem MS(MS/MS)spectra,and CCS values.Among the studied metabolites,263 traveling wave ion mobility spectrometry(TWIMS)-derived CCS values(TWCCSN2)were reported for the first time,and more than 70％of these were CCS values of VLMs.The TWCCSN2 values were highly repeatable,with inter-day variations of＜1％relative standard deviation(RSD).The developed method revealed excellent TWCCSN2 accuracy with a CCS difference(△CCS)within±2％of the reported drift tube IMS(DTIMS)and TWIMS CCS values.The complexity of the urine matrix did not affect the precision of the method,as evidenced by △CCS within±1.92％.According to the Metabolomics Standards Initiative,55 urinary metabolites were identified with a confidence level of 1.Among these 55 metabolites,53(96％)were VLMs.The larger number of confirmed compounds found in this study was a result of the addition of TWCCSN2 values,which clearly increased metabolite identification confidence.

外文关键词：

Very low-molecular-weight metabolitesTraveling wave ion mobilityCollision cross-sectionHuman urine

作者：

Alongkorn Kurilung、Suphitcha Limjiasahapong、Khwanta Kaewnarin、Pattipong Wisanpitayakorn、Narumol Jariyasopit、Kwanjeera Wanichthanarak、Sitanan Sartyoungkul、Stephen Choong Chee Wong、Nuankanya Sathirapongsasuti、Chagriya Kitiyakara、Yongyut Sirivatanauksorn、Sakda Khoomrung

展开 >

作者单位：

Siriraj Center of Research Excellent in Metabolomics and Systems Biology(SiCORE-MSB),Faculty of Medicine Siriraj Hospital,Mahidol University,Bangkok,10700,Thailand

Siriraj Metabolomics and Phenomics Center,Faculty of Medicine Siriraj Hospital,Mahidol University,Bangkok,10700,Thailand

Department of Biomedical Informatics,University of Arkansas for Medical Sciences,Little Rock,AR,72205,USA

SingHealth Duke-NUS Institute of Biodiversity Medicine,National Cancer Centre Singapore,168583,Singapore

Waters Pacific Pte.,Ltd.,Singapore,117528,Singapore

Program in Translational Medicine,Faculty of Medicine Ramathibodi Hospital,Mahidol University,Bangkok,10400,Thailand

Chakri Naruebodindra Medical Institute,Faculty of Medicine Ramathibodi Hospital,Mahidol University,Samut Prakan,10540,Thailand

Department of Medicine,Ramathibodi Hospital,Mahidol University,Bangkok,10400,Thailand

Department of Biochemistry,Faculty of Medicine Siriraj Hospital,Mahidol University,Bangkok,10700,Thailand

Center of Excellence for Innovation in Chemistry(PERCH-CIC),Faculty of Science,Mahidol University,Bangkok,10400,Thailand

展开 >

基金：

Postdoctoral Fellowship Program by Mahidol University ThailandMahidol University,Thailand(to Associate Professor Sakda Khoomrung)National Science,Research and Innovation Fund(NSRF)via the Program Management Unit for Human Resources & Institutional DevelCenter of Excellence for Innovation in Chemistry(PERCH-CIC)Ministry of Higher Education,Science,Research,and Innovation,ThailandResearch Excellence Development(RED)program,Faculty of Medicine Siriraj Hospital,Mahidol University,Thailand

项目编号：

IOR016320001B36G660007

出版年：

2024

DOI：

10.1016/j.jpha.2023.12.011

药物分析学报(英文)

西安交通大学

药物分析学报(英文)

影响因子：0.244

ISSN：2095-1779

年,卷(期)：2024.14(5)