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| Name | Modified | Size | Downloads / Week |
|---|---|---|---|
| Parent folder | |||
| 2012_02_03_PStd_10_3.mzML | 2014-08-21 | 236.0 MB | |
| 2012_02_03_PStd_10_2.mzML | 2014-08-21 | 232.2 MB | |
| 2012_02_03_PStd_10_1.mzML | 2014-08-21 | 212.7 MB | |
| 2012_02_03_PStd_050_3.mzML | 2014-08-21 | 202.5 MB | |
| 2012_02_03_PStd_050_2.mzML | 2014-08-21 | 208.2 MB | |
| 2012_02_03_PStd_050_1.mzML | 2014-08-21 | 221.1 MB | |
| PositiveAdducts.tsv | 2014-08-21 | 357 Bytes | |
| NegativeAdducts.tsv | 2014-08-21 | 157 Bytes | |
| HMDBMappingFile.tsv | 2014-08-21 | 633.0 kB | |
| HMDB2StructMapping.tsv | 2014-08-21 | 16.0 MB | |
| Totals: 10 Items | 1.3 GB | 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