Abstract
Gas chromatography-mass spectrometry (GC-MS)-based metabolomics is ideal for identifying and quantitating small-molecule metabolites (<650 Da), including small acids, alcohols, hydroxyl acids, amino acids, sugars, fatty acids, sterols, catecholamines, drugs, and toxins, often using chemical derivatization to make these compounds sufficiently volatile for gas chromatography. This unit shows how GC-MS-based metabolomics allows integration of targeted assays for absolute quantification of specific metabolites with untargeted metabolomics to discover novel compounds. Complemented by database annotations using large spectral libraries and validated standard operating procedures, GC-MS can identify and semiquantify over 200 compounds from human body fluids (e.g., plasma, urine, or stool) per study. Deconvolution software enables detection of more than 300 additional unidentified signals that can be annotated through accurate mass instruments with appropriate data processing workflows, similar to untargeted profiling using liquid chromatography-mass spectrometry. GC-MS is a mature technology that uses not only classic detectors (quadrupole) but also target mass spectrometers (triple quadrupole) and accurate mass instruments (quadrupole-time of flight). This unit covers sample preparation from mammalian samples, data acquisition, quality control, and data processing.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 30.4.1-30.4.32 |
| Journal | Current Protocols in Molecular Biology |
| Volume | 114 |
| DOIs | |
| State | Published - Apr 1 2016 |
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Keywords
- compound identification
- GC-MS
- mass spectrometry
- multivariate statistics
- pathway mapping
- precision medicine
- structure elucidation
ASJC Scopus subject areas
- Molecular Biology
Cite this
Metabolomics by Gas Chromatography-Mass Spectrometry : Combined Targeted and Untargeted Profiling. / Fiehn, Oliver.
In: Current Protocols in Molecular Biology, Vol. 114, 01.04.2016, p. 30.4.1-30.4.32.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Metabolomics by Gas Chromatography-Mass Spectrometry
T2 - Combined Targeted and Untargeted Profiling
AU - Fiehn, Oliver
PY - 2016/4/1
Y1 - 2016/4/1
N2 - Gas chromatography-mass spectrometry (GC-MS)-based metabolomics is ideal for identifying and quantitating small-molecule metabolites (<650 Da), including small acids, alcohols, hydroxyl acids, amino acids, sugars, fatty acids, sterols, catecholamines, drugs, and toxins, often using chemical derivatization to make these compounds sufficiently volatile for gas chromatography. This unit shows how GC-MS-based metabolomics allows integration of targeted assays for absolute quantification of specific metabolites with untargeted metabolomics to discover novel compounds. Complemented by database annotations using large spectral libraries and validated standard operating procedures, GC-MS can identify and semiquantify over 200 compounds from human body fluids (e.g., plasma, urine, or stool) per study. Deconvolution software enables detection of more than 300 additional unidentified signals that can be annotated through accurate mass instruments with appropriate data processing workflows, similar to untargeted profiling using liquid chromatography-mass spectrometry. GC-MS is a mature technology that uses not only classic detectors (quadrupole) but also target mass spectrometers (triple quadrupole) and accurate mass instruments (quadrupole-time of flight). This unit covers sample preparation from mammalian samples, data acquisition, quality control, and data processing.
AB - Gas chromatography-mass spectrometry (GC-MS)-based metabolomics is ideal for identifying and quantitating small-molecule metabolites (<650 Da), including small acids, alcohols, hydroxyl acids, amino acids, sugars, fatty acids, sterols, catecholamines, drugs, and toxins, often using chemical derivatization to make these compounds sufficiently volatile for gas chromatography. This unit shows how GC-MS-based metabolomics allows integration of targeted assays for absolute quantification of specific metabolites with untargeted metabolomics to discover novel compounds. Complemented by database annotations using large spectral libraries and validated standard operating procedures, GC-MS can identify and semiquantify over 200 compounds from human body fluids (e.g., plasma, urine, or stool) per study. Deconvolution software enables detection of more than 300 additional unidentified signals that can be annotated through accurate mass instruments with appropriate data processing workflows, similar to untargeted profiling using liquid chromatography-mass spectrometry. GC-MS is a mature technology that uses not only classic detectors (quadrupole) but also target mass spectrometers (triple quadrupole) and accurate mass instruments (quadrupole-time of flight). This unit covers sample preparation from mammalian samples, data acquisition, quality control, and data processing.
KW - compound identification
KW - GC-MS
KW - mass spectrometry
KW - multivariate statistics
KW - pathway mapping
KW - precision medicine
KW - structure elucidation
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UR - http://www.scopus.com/inward/citedby.url?scp=85016731212&partnerID=8YFLogxK
U2 - 10.1002/0471142727.mb3004s114
DO - 10.1002/0471142727.mb3004s114
M3 - Article
C2 - 27038389
AN - SCOPUS:85016731212
VL - 114
SP - 30.4.1-30.4.32
JO - Current protocols in molecular biology / edited by Frederick M. Ausubel ... [et al.]
JF - Current protocols in molecular biology / edited by Frederick M. Ausubel ... [et al.]
SN - 1934-3639
ER -