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Sample Set Information

ID SE126
Title Test dataset for MS-DIAL 2.0 and MS-FINDER 2.0
Description Three validation kits are prepared for the evaluation of MS-DIAL 2.0 and MS-FINDER 2.0.

(1) The validation of MS-DIAL chromatogram deconvolution for GC/MS data was performed by six raw data files from five major MS vendors.
(2) Software comparison of MS-DIAL against other alternative programs was performed by four raw data files.
(3) Software comparison of MS-FINDER against other alternative programs was performed by five EI-MS spectra.

The raw files except for Bruker Daltonics and Thermo Fisher Scientific (because of their contracts) can be downloaded.

Authors Zijuan Lai, Hiroshi Tsugawa, Gert Wohlgemuth, Matthew Mueller, Yuxuan Zheng, Atsushi Ogiwara, Sajjan Mehta, John Meissen, Kohei Takeuchi, Tobias Kind, Peter Beal, Masanori Arita, Oliver Fiehn
Reference Lai et al. (2018) Nature Methods Jan;15(1):53-56. doi: 10.1038/nmeth.4512

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The raw data files are available at DROP Met web site in PRIMe database of RIKEN.

Sample Information

Title human plasma
Organism - Scientific Name Homo sapiens
Organism - ID NCBI taxonomy 9606
Compound - ID
Compound - Source
Sample Preparation Details ID

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