For the targeted metabolomics a scan survey called Multiple Reaction Monitoring (MRM) is used to detect and quantify metabolites by LC-MS/MS. On the other hand, full scan or Single Ion Monitoring (SIM) is performed when GC-MS is selected to analyze volatile compounds.

• Amino Acids and Derivatives

Amino acids and their derivatives are analyzed using an Agilent 1290 Infinity II coupled to an ABSciex QTRAP 6500+ LC-MS/MS system. The analytical method is described in a peer-review paper published by Cocuron et al. (2014). The run time is 10 minutes.

• Microcystins

Microcystins are analyzed using an Agilent 1290 Infinity II coupled to an ABSciex QTRAP 6500+ LC-MS/MS system. The analytical method uses a BEH C18 (2.1 x 50 mm; 1.7 micron) column from Waters. The run time is 5 minutes.

• Phenolics/Hormones/Secondary Compounds

Alkaloids, flavonoids, hormones, phenolics (acids, alcohol, aldehydes), and stilbenes are analyzed using an Agilent 1290 Infinity II coupled to an ABSciex QTRAP 6500+ LC-MS/MS system. The analytical method uses a Symmetry C18 (4.6 x 75 mm; 3.5 micron) column from Waters. The run time is 15 minutes.

• Phosporylated Compounds and Organic Acids

Phosphorylated compounds and organic acids are quantified using an Agilent 1290 Infinity II coupled to an ABSciex QTRAP 6500+ LC-MS/MS system. The analytical method is described in two peer-review papers published by Alonso et al. (2010) and Koubaa et al. (2013). Note that organic acids can be separated in 60 minutes whereas phosphorylated compounds in 80 minutes.

• Polyamines

Polyamines are analyzed using an Agilent 1290 Infinity II coupled to an ABSciex QTRAP 6500+ LC-MS/MS system. The analytical method utilizes a Zorbax Eclipse Plus C18, RRHD (2.1 x 50 mm; 1.8 micron) column from Agilent. The run time is 10 minutes.

• Polyunsaturated Aldehydes

Polyunsaturated aldehydes are quantified using Thermo Trace 1310 Gas Chromatography Coupled to a Single Quadrupole Mass Spectrometer (ISQ) system. The analytical method uses a TG5-MS (30 m x 0.25 mm x 0.50 micron) column from ThermoFisher. The analytical method is described in two peer-review papers published by Lavrentyev et al. (2015). The run time is 30 minutes.

• Sugars & Sugar Alcohols

Sugars and sugar alcohols are analyzed using an Agilent 1290 Infinity II coupled to an ABSciex QTRAP 6500+ LC-MS/MS system. The analytical method is described in a peer-review paper published by Cocuron et al. (2014). The run time is 20 minutes.

• Others

The metabolites reported above are analyzed using an Agilent 1290 Infinity II coupled to an ABSciex QTRAP 6500+ LC-MS/MS system.

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