Dataset Open Access
S61 | UJICCSLIB | Collision Cross Section (CCS) Library from UJI
Celma, Alberto;
Fabregat-Safont, David;
Ibàñez, María;
Bijlsma, Lubertus;
Hernandez, Félix;
Sancho, Juan Vicente
Other(s)
Schymanski, Emma
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.
| Name | Size | |
|---|---|---|
|
TableS1_CCS_RT_mz_DB_IUPA_charge.csv
md5:e1201549fa7a177dd511d036c438b219 |
277.8 kB | Download |
|
TableS1_CCS_RT_mz_DB_IUPA_charge.xlsx
md5:48aedaec99d8c289c7bf2b4c4e227264 |
5.2 MB | Download |
|
UJICCSLIB_DTXSIDs_21112019.txt
md5:57b98e9dfc7f9b3ecf0bb0016a0e0ec9 |
7.4 kB | Download |
|
UJICCSLIB_InChIKeys_21112019.txt
md5:b5b4606ac3192f598d1bd491d016cd87 |
16.6 kB | Download |
| All versions | This version | |
|---|---|---|
| Views | 2,658 | 1,552 |
| Downloads | 2,609 | 1,162 |
| Data volume | 1.0 GB | 576.9 MB |
| Unique views | 2,370 | 1,434 |
| Unique downloads | 1,841 | 945 |
- Publication date:
- November 21, 2019
- DOI:
-
- Keyword(s):
- Collision Cross Section Ion Mobility Suspect Screening IMS-MS CCS
- Related identifiers:
- Supplement to
- Communities:
- License (for files):
- Creative Commons Attribution 4.0 International