APCI_MS
DOI: 10.14469/hpc/10224 Metadata
Created: 2022-03-11 13:57
Last modified: 2022-03-12 08:58
License: Creative Commons: Public Domain Dedication 1.0
Funding: (none given)
Description
raw mass spectroscopic data set
Files
| Filename | Size | Type | Description |
|---|---|---|---|
| Sulfonium-Gal.cdxml | 3MB | chemical/x-cdxml | Chemdraw connection table |
| Pyridinium-Gal.cdxml | 15KB | chemical/x-cdxml | Chemdraw connection table |
| Pyridinium-Gal.zip | 21MB | application/zip | Raw data archive |
| Pyridinium-Gal.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for Pyridinium-Gal.zip |
| Sulfonium-Gal.zip | 31MB | application/zip | Raw data archive |
| Sulfonium-Gal.mnpub | 0 | chemical/x-mnpub | Mestrenova signature file for Sulfonium-Gal.zip |
Member of collection / collaboration
| DOI | Description |
|---|---|
| 10.14469/hpc/10222 | Mass spectroscopic data for "A combined DFT-predictive and experimental exploration of the sensitivity towards nucleofuge variation in zwitterionic intermediates relating to mechanistic models for unimolecular chemical generation and trapping of free C2 and alternative bimolecular pathways involving no free C2." |
Subject Keywords
| Keyword | Value |
|---|---|
| inchi | InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H |
| inchi | InChI=1S/C31H42O2/c1-14-33-27-24(30(8,9)10)18-21(19-25(27)31(11,12)13)15-20-16-22(28(2,3)4)26(32)23(17-20)29(5,6)7/h1,15-19H,2-13H3 |
| inchikey | IYYZUPMFVPLQIF-UHFFFAOYSA-N |
| inchikey | DVMDIIOCMCWBKQ-UHFFFAOYSA-N |