S61 | UJICCSLIB | Collision Cross Section (CCS) Library from UJI
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https://zenodo.org/record/3549476
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资源简介:
This is the collection associated with list S61 UJICCSLIB on the NORMAN Suspect List Exchange.
https://www.norman-network.com/nds/SLE/
A list of 970 collision cross section values from 556 compounds (both positive and negative ionization modes, and N2 as a drift gas using TWIMS-QTOF instrument) provided by Alberto Celma et al. (submitted)
Update 10 April 2020: added charge information in an extra column to the xlsx and csv files, for PubChem integration. InChIKey and DTXSID files did not change. 30 Jul 2020: fixed adduct/charge mismatches in CSV.
创建时间:
2020-07-30



