Discovery metabolomics by GC–MS was carried out using an Agilent 7890 gas chromatograph in-line with an Agilent 5977 single quadrupole mass spectrometer. Dry samples were derivatized with N-methyl-N-(trimethylsilyl)-trifluoroacetamide. Gas chromatography separation was on a HP-DB5 column (30 mm × 0.25 mm) with a temperature gradient from 80 °C to 320 °C. The mass spectrometer was operated in full scan mode with a mass range of 50 to 500 m/z. Data processing was performed using an R script developed in-house. Features were annotated by matching of retention times to standard compounds and matching of fragmentation spectra to the Human Metabolomics Database (HMDB).
5977 single quadrupole mass spectrometer
Manufactured by Agilent Technologies
The 5977 single quadrupole mass spectrometer is a laboratory instrument designed for the analysis of chemical compounds. It utilizes a single quadrupole mass analyzer to separate and detect ions based on their mass-to-charge ratio. The instrument is capable of providing accurate mass measurements and identifying the molecular structure of various substances.
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2 protocols using 5977 single quadrupole mass spectrometer
1
GC-MS Metabolomics Workflow
2
Headspace GC-MS Analysis of Terpenes
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The reference compounds (-)-menthol, menthone, menthyl acetate, and p-xylene-d10 were of analytical grade and purchased from Sigma-Aldrich (Zwijndrecht, the Netherlands). Methanol came from Biosolve BV (Valkenswaard, the Netherlands).
Headspace GC-MS analysis was performed on an Agilent 7890B gas chromatograph equipped with a 5977 single quadrupole mass spectrometer (Agilent Technologies, Amstelveen, the Netherlands) and a multi-purpose sampler (MPS-2, Gerstel, Mühlheimander Ruhr, Germany).
Headspace GC-MS analysis was performed on an Agilent 7890B gas chromatograph equipped with a 5977 single quadrupole mass spectrometer (Agilent Technologies, Amstelveen, the Netherlands) and a multi-purpose sampler (MPS-2, Gerstel, Mühlheimander Ruhr, Germany).
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