Measurement of very low-molecular weight metabolites by traveling wave ion mobility and its use in human urine samplesOA
Measurement of very low-molecular weight metabolites by traveling wave ion mobility and its use in human urine samples
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.
Alongkorn Kurilung;Chagriya Kitiyakara;Yongyut Sirivatanauksorn;Sakda Khoomrung;Suphitcha Limjiasahapong;Khwanta Kaewnarin;Pattipong Wisanpitayakorn;Narumol Jariyasopit;Kwanjeera Wanichthanarak;Sitanan Sartyoungkul;Stephen Choong Chee Wong;Nuankanya Sathirapongsasuti
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,USADepartment of Medicine,Ramathibodi Hospital,Mahidol University,Bangkok,10400,ThailandSiriraj Metabolomics and Phenomics Center,Faculty of Medicine Siriraj Hospital,Mahidol University,Bangkok,10700,ThailandSiriraj 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 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,ThailandSiriraj 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||SingHealth Duke-NUS Institute of Biodiversity Medicine,National Cancer Centre Singapore,168583,SingaporeSiriraj 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,ThailandWaters Pacific Pte.,Ltd.,Singapore,117528,SingaporeProgram 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
Very low-molecular-weight metabolitesTraveling wave ion mobilityCollision cross-sectionHuman urine
《药物分析学报（英文）》 2024 (005)
733-743 / 11
Dr.Alongkorn Kurilung was supported by the Postdoctoral Fellowship Program(Grant No.:(IO)R016320001)by Mahidol Uni-versity,Thailand.This research project was supported by Mahidol University,Thailand(to Associate Professor Sakda Khoomrung).This research has received funding support from the National Science,Research and Innovation Fund(NSRF)via the Program Management Unit for Human Resources & Institutional Development,Research and Innovation,Thailand(Grant No.:B36G660007).The Center of Excellence for Innovation in Chemistry(PERCH-CIC),Ministry of Higher Education,Science,Research,and Innovation,Thailand,are gratefully acknowledged.This project is partially supported by the Research Excellence Development(RED)program,Faculty of Med-icine Siriraj Hospital,Mahidol University,Thailand.
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