GC-MS of Biologically and Environmentally Significant Organic Compounds TMS Derivatives

Provides a comprehensive guide to the use of gas chromatography–mass spectrometry (GC-MS) on environmentally significant organic compounds

This book presents a library of mass spectra of 1,725 biologically and environmentally important organic compounds, in the form of their trimethylsilyl derivatives (TMS), as well as their linear temperature programmed chromatographic retention indices, RI, whose values are in the range of 700-4700 index units. Of the compounds presented, more than 60% of compounds have not previously been characterized by their mass spectra, and more than 70% not previously been characterized by their RI values. Some of these compounds, never before analysed via MS and GC, were detected by the author’s team in plant tissues.

The first chapters of the book are devoted to the methodology and practice of sample preparation, as well as to mass spectrometry considerations. They contain the discussion of possible complications and limitations of the method. The book includes lists of chemical compounds in alphabetical order, as well as in the order of their retention indices which facilitates the search for parameters of interest. Every compound in the book includes a RI value, mass spectrum, CAS number (if available), molecular and structural formula, formula weight, chemical name and list of synonyms, as well the source of compounds used for registration of spectrum and RI value.

• Features mass spectra and chromatographic retention indices of 1,725 organic substances in the form of their trimethylsilyl derivatives (TMS)
• Includes the CAS number, molecular and structural formula, formula weight, mass spectrum, chemical name and list of synonyms, and more for every compound covered within
• The first publication containing analytical parameters of high-boiling compounds such as glycosides, lignans, and phenylpropenoid glycerides with RI values >4000

GC-MS of Biologically and Environmentally Significant Organic Compounds will appeal to specialists in phytochemical analysis, food, and environmental chemistry, as well as other investigators dealing with GC or GC/MS analysis complex mixtures of organic compounds.

The accompanying electronic database, "Biologically and Environmentally Important Organic Compounds - GCMS Library", will be published in mid-2020, ISBN: 978-1-119-60170-8.

VALERY A. ISIDOROV, PHD, Dr Sci is Professor at Bialystok University of Technology, Poland, specializing in analytical chemistry, environmental chemistry, and the chemistry of natural products.

Preface vii

1 Introduction 1

2 Gas Chromatography and Mass Spectrometry Considerations 7

2.1 Silylation Reagents and Procedure of Derivatisation 7

2.2 Two-Step Derivatisation: Oximating−Silylating 8

2.3 Analytical Procedure 10

2.3.1 Selection of Stationary Phase and Conditions of Separation 10

2.3.2 Sample Preparation 10

2.3.3 Qualitative MS Identification 12

2.3.3.1 Aliphatic Alcohols 16

2.3.3.2 Aromatic Alcohols 16

2.3.3.3 Carboxylic Acids 16

2.3.3.4 Amino Acids 16

2.3.3.5 Phenylpropanoids 17

2.3.3.6 Flavonoids 18

2.3.3.7 Steroids 20

2.3.3.8 Carbohydrates and Glycosides 22

2.4 A Critical Role of Retention Indices in GS–MS Investigations 24

2.5 Experimental Factors Influencing the Accuracy of Retention Indices 28

2.6 Possible Artefacts and Complications of Mass Spectral Identification 30

3 Explanation of Format Used in the Book 33

4 References 35

5 Alphabetic Listing of Compounds 43

6 Compounds Listed in Order of Their Retention Indices 87

7 Mass Spectra and Retention Indices of TMS Derivatives 131

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