Ionisation Product Clustering to Improve Peak Alignment in LC-MS-based Metabolomics

Wandy, J., van der Hooft, J. and Rogers, S. (2016) Ionisation Product Clustering to Improve Peak Alignment in LC-MS-based Metabolomics. [Data Collection]

Collection description

The entire collection consists of two metabolomics datasets, produced by running samples through liquid chromatography mass spectrometry instruments. The Standard dataset is generated from a mixture of 104 standard metabolites used for the calibration of chromatographic columns, and is available in 11 LC-MS runs. The Beer dataset is generated by sampling a bottle of ‘Seven Giraffes Extraordinary Ale’ and is available in 3 LC-MS runs.

Funding:
College / School: College of Science and Engineering > School of Computing Science
Date Deposited: 03 Nov 2016 16:45
URI: http://researchdata.gla.ac.uk/id/eprint/292

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Wandy, J., van der Hooft, J. and Rogers, S. (2016); Ionisation Product Clustering to Improve Peak Alignment in LC-MS-based Metabolomics

University of Glasgow

http://researchdata.gla.ac.uk/292

Retrieved: 2022-08-09