Metabolite Identification Using Authentic Standards

Deionized water was prepared using Milli-Q water purification system (Millipore). Acetonitrile and methanol were LC-MS grade and obtained from VWR (West Sussex, UK) and Fisher Scientific (Loughborough, UK), respectively. All analytical standards and chemicals including ammonium carbonate were purchased from either Fisher Scientific (Loughborough, UK) or Sigma-Aldrich (Gillingham, UK) unless otherwise stated. For metabolite identification, 5 mixtures containing 268 authentic standards were prepared in methanol:water (1:1) and were used for the identification of the metabolites as detailed elsewhere (Abdelrazig et al., 2020 (link)).

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Randall L.V., Kim D.H., Abdelrazig S.M., Bollard N.J., Hemingway-Arnold H., Hyde R.M., Thompson J.S, & Green M.J. (2023). Predicting lameness in dairy cattle using untargeted liquid chromatography–mass spectrometry-based metabolomics and machine learning. Journal of Dairy Science, 106(10), 7033-7042.

Publication 2023

Milli-Q water purification system Acetonitrile methanol ammonium carbonate

Acetonitrile Ammonium carbonate Methanol

Corresponding Organization : University of Nottingham

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Variable analysis

independent variables

Milli-Q water purification system (Millipore) used to prepare deionized water
Acetonitrile and methanol (LC-MS grade) obtained from VWR (West Sussex, UK) and Fisher Scientific (Loughborough, UK), respectively
Analytical standards and chemicals including ammonium carbonate purchased from Fisher Scientific (Loughborough, UK) or Sigma-Aldrich (Gillingham, UK)

dependent variables

Not explicitly mentioned

control variables

Deionized water prepared using Milli-Q water purification system (Millipore)
Acetonitrile and methanol used were LC-MS grade
Analytical standards and chemicals were purchased from reputable suppliers

controls

5 mixtures containing 268 authentic standards prepared in methanol:water (1:1) and used for metabolite identification

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