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| Name | Modified | Size | Downloads / Week |
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| Parent folder | |||
| sample_data | 2014-08-21 | ||
| README.md | 2014-08-21 | 720 Bytes | |
| Example2_Metabolite_ID_Workflow.zip | 2014-08-16 | 141.8 kB | |
| Totals: 3 Items | 142.5 kB | 0 | |
Example 2: Label-free quantitation and identification of metabolites
This workflow exemplifies the differentatial analysis of small molecules in a LC-MS/MS experiment. Details on the data set can be found in [1]. The workflow combines feature detection, map-alignment, and feature linking with identifications generated by accurate mass search against HMDB. Subsequently the feature intensities are subjected to differential analysis.
References
[1] Kenar E., Franken H., Forcisi S., Wörmann K., Häring H.-U., Lehmann R., Schmitt-Kopplin P., Zell A., and Kohlbacher O. Automated Label-Free Quantification of Metabolites from LC-MS Data Mol Cell Proteomics 2014 13: 348-359. doi:10.1074/mcp.M113.031278