Chapter 5
GC/MS Data Evaluation
5.1 Identification
Outlook
The hyphenated system of gas chromatography-mass spectrometry GC/MS is
a key technique for identification of organic substances in complex mixtures
and at low concentration levels. Here, the key aspects of mass spectra data
interpretation and the correlation with gas chromatographic information are
presented for structure elucidation of organic analytes. Further on, some
examples from environmental as well as fossil matter analyses are given.
Fragmentation is the most important process that allows to obtain information on the
molecular structure of the analyte measured by mass spectrometry. Additionally, the
separation by gas chromatography also provides information and contributes to an
unambiguous identification of organic substances. The process of identification is
nowadays supported by automated search algorithms, however a profound identification needs an in-depth knowledge of interpretation of both mass spectrometric and
gas chromatographic data. Therefore, in a first subchapter the principal aspects of
MS data interpretation are given followed by a brief description of up-to-date
processes of identification and, finally, by some examples from environmental as
well as fossil matter analyses.
© Springer Nature Switzerland AG 2020
J. Schwarzbauer, B. Jovančićević, Introduction to Analytical Methods in Organic
Geochemistry, Fundamentals in Organic Geochemistry,
https://doi.org/10.1007/978-3-030-38592-7_5
97
GC/MS Data Evaluation
5.1 Identification
Outlook
The hyphenated system of gas chromatography-mass spectrometry GC/MS is
a key technique for identification of organic substances in complex mixtures
and at low concentration levels. Here, the key aspects of mass spectra data
interpretation and the correlation with gas chromatographic information are
presented for structure elucidation of organic analytes. Further on, some
examples from environmental as well as fossil matter analyses are given.
Fragmentation is the most important process that allows to obtain information on the
molecular structure of the analyte measured by mass spectrometry. Additionally, the
separation by gas chromatography also provides information and contributes to an
unambiguous identification of organic substances. The process of identification is
nowadays supported by automated search algorithms, however a profound identification needs an in-depth knowledge of interpretation of both mass spectrometric and
gas chromatographic data. Therefore, in a first subchapter the principal aspects of
MS data interpretation are given followed by a brief description of up-to-date
processes of identification and, finally, by some examples from environmental as
well as fossil matter analyses.
© Springer Nature Switzerland AG 2020
J. Schwarzbauer, B. Jovančićević, Introduction to Analytical Methods in Organic
Geochemistry, Fundamentals in Organic Geochemistry,
https://doi.org/10.1007/978-3-030-38592-7_5
97