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Published November 21, 2019 | Version NORMAN-SLE S61.0.1.2
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S61 | UJICCSLIB | Collision Cross Section (CCS) Library from UJI

Creators

  • 1. IUPA, UJI

Contributors

  • 1. LCSB, Uni Luxembourg

Description

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.

Files

TableS1_CCS_RT_mz_DB_IUPA_charge.csv

Files (5.5 MB)

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md5:e1201549fa7a177dd511d036c438b219
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md5:48aedaec99d8c289c7bf2b4c4e227264
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md5:57b98e9dfc7f9b3ecf0bb0016a0e0ec9
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md5:b5b4606ac3192f598d1bd491d016cd87
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Additional details

Related works

Is supplement to
https://www.norman-network.com/nds/SLE/ (URL)