Gas chromatography/flame ionisation detection mass spectrometry for the detection of endogenous urine metabolites for metabonomic studies and its, use as a complementary tool to nuclear magnetic resonance spectroscopy

被引:34
|
作者
Fancy, Sally-Ann
Beckonert, Olaf
Darbon, Gareth
Yabsley, Warren
Walley, Rosalind
Baker, David
Perkins, George L.
Pullen, Frank S.
Rumpel, Klaus
机构
[1] Pfizer Global R&D, Sandwich CT13 9NJ, Kent, England
[2] Pfizer Global R&D, Michigan Labs, Ann Arbor, MI 48105 USA
关键词
D O I
10.1002/rcm.2583
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
Metabonomics is a relatively new field of research in which the total pool of metabolites in body fluids or tissues from different patient groups is subjected to comparative analysis. Nuclear magnetic resonance (NMR) spectroscopy is the technology that is currently most widely used for the analysis of these highly complex metabolite mixtures, and hundreds of metabolites can be detected without any upfront separation. We have investigated in this study whether gas chromatography (GC) separation in combination with flame ionisation detection (FID) and mass spectrometry (MS) detection can be used for metabolite profiling from urine. We show that although GC sample preparation is much more involved than for NMR, hundreds of metabolites can reproducibly be detected and analysed by GC. We show that the data quality is sufficiently high - particularly if appropriate baseline correction and time-warping methods are applied - to allow for data comparison by chemometrics methods. A sample set of urines from eleven healthy human volunteers was analysed independently by GC and NMR, and subsequent chemometrics analysis of the two datasets showed some similar features. As judged by NIST database searches of the GUMS data some of the major metabolites that are detected by NMR are also visible by GC/MS. Since in contrast to NMR every peak in GC corresponds to a single metabolite, the electron ionisation spectra can be used to quickly idenfify metabolites of interest if their reference spectra are present in a searchable database. In summary, we show that GC is a method that can be used as a complementary tool to NMR for metabolite profiling of urine samples. Copyright (c) 2006 John Wiley & Sons, Ltd.
引用
收藏
页码:2271 / 2280
页数:10
相关论文
共 50 条
  • [21] DETECTION OF THE ILLEGAL USE OF ETHINYLESTRADIOL IN CATTLE URINE BY GAS-CHROMATOGRAPHY MASS-SPECTROMETRY
    DAESELEIRE, E
    DEGUESQUIERE, A
    VANPETEGHEM, C
    JOURNAL OF CHROMATOGRAPHY-BIOMEDICAL APPLICATIONS, 1991, 564 (02): : 469 - 475
  • [22] Detection of afobazole and its major metabolites using capillary gas chromatography-mass spectrometry
    Bochkov P.O.
    Revel'skii A.I.
    Gulyaev I.V.
    Blynskaya E.V.
    Moscow University Chemistry Bulletin, 2013, 68 (3) : 159 - 166
  • [23] Development and validation of a quantitative gas chromatography-mass spectrometry method for the detection of endogenous androgens in mouse urine
    Lootens, L.
    Van Eenoo, P.
    Meuleman, P.
    Leroux-Roels, G.
    Van Thuyne, W.
    Delbeke, F. T.
    JOURNAL OF CHROMATOGRAPHY A, 2008, 1178 (1-2) : 223 - 230
  • [24] Determination of chlorinated paraffins in sediments from the Firth of Clyde by gas chromatography with electron capture negative ionisation mass spectrometry and carbon skeleton analysis by gas chromatography with flame ionisation detection
    Hussy, Ines
    Webster, Lynda
    Russell, Marie
    Moffat, Colin
    CHEMOSPHERE, 2012, 88 (03) : 292 - 299
  • [25] The use of preparative high performance liquid chromatography with tandem mass spectrometric directed fraction collection for the isolation and characterisation of drug metabolites in urine by nuclear magnetic resonance spectroscopy and liquid chromatography sequential mass spectrometry
    Plumb, RS
    Ayrton, J
    Dear, GJ
    Sweatman, BC
    Ismail, IM
    RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 1999, 13 (10) : 845 - 854
  • [26] Determination of two oxy-pyrimidine metabolites of diazinon in urine by gas chromatography/mass selective detection and liquid chromatography/electrospray ionization/mass spectrometry/mass spectrometry
    Yokley, RA
    Shen, N
    Cheung, MW
    JOURNAL OF AOAC INTERNATIONAL, 2000, 83 (05) : 1229 - 1238
  • [27] Detection of ketamine and its metabolites in urine by ultra high pressure liquid chromatography-tandem mass spectrometry
    Parkin, Mark C.
    Turfus, Sophie C.
    Smith, Norman W.
    Halket, John M.
    Braithwaite, Robin A.
    Elliott, Simon P.
    Osselton, M. David
    Cowan, David A.
    Kicman, Andrew T.
    JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES, 2008, 876 (01): : 137 - 142
  • [28] Pyrolysis-mass spectrometry and gas chromatography-flame ionization detection as complementary tools for soil lipid characterization
    Jeannotte, R.
    Hamel, C.
    Jabaji, S.
    Whalen, J. K.
    JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS, 2011, 90 (02) : 232 - 237
  • [29] DETECTION OF TETRAHYDROISOQUINOLINE IN PARKINSONIAN BRAIN AS AN ENDOGENOUS AMINE BY USE OF GAS-CHROMATOGRAPHY MASS-SPECTROMETRY
    NIWA, T
    TAKEDA, N
    SASAOKA, T
    KANEDA, N
    HASHIZUME, Y
    YOSHIZUMI, H
    TATEMATSU, A
    NAGATSU, T
    JOURNAL OF CHROMATOGRAPHY-BIOMEDICAL APPLICATIONS, 1989, 491 (02): : 397 - 403
  • [30] Detection of urinary arimistane metabolites in humans using liquid chromatography-mass spectrometry: Complementary results to gas chromatography mass spectrometric data and its application to antidoping analyses
    Brito, Dayamin Martinez
    Leogrande, Patrizia
    Botre, Francesco
    de la Torre, Xavier
    RAPID COMMUNICATIONS IN MASS SPECTROMETRY, 2021, 35 (12)