Nearline acquisition and processing of tandem-MS data
Steffen Neumann, Andrea Thum and Christoph Böttcher
Nearline acquisition and processing of liquid chromatography-tandem mass spectrometry data.
Metabolomics. DOI: 10.1007/s11306-012-0401-0 (2012) springerlink
Github development repository:
The main source code repository is living now at: github.com/sneumann/MetShot
Supplementary material :
- The source package for MetShot 0.1.23
- The windows package for MetShot 0.1.18 (for R-devel, which will be R-3.0.0 you need for MetShot-R300 0.1.18 )
- The MS/MS reference spectra of the synthetic compounds in MassBank record format
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ISAtab rawdata archive for the Arabidopsis Col0 vs. CYP79B2 / CYP79B3 comparison, The same data is available from Metabolights at www.ebi.ac.uk/metabolights/MTBLS2