Dataset

electron ionisation mass spectrometry (EI-MS)

dataset for electron ionisation mass spectrometry (EI-MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C11H12N2O2S/c1-2-15-10(14)7-13-9-6-4-3-5-8(9)12-11(13)16/h3-6H,2,7H2,1H3,(H,12,16)
SMILES CCOC(=O)Cn1c(S)nc2c1cccc2
InChI Key IDNPLWDQYDXGMB-UHFFFAOYSA-N
Molecular Formula C11H12N2O2S
Exact Mass 236.290 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/IDNPLWDQYDXGMB-UHFFFAOYSA-N/Mass/EI.1
License URL
Source https://www.chemotion-repository.net/inchikey/IDNPLWDQYDXGMB-UHFFFAOYSA-N/Mass/EI.1
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T21:34:59.385047
MetadataModified 2024-09-07T14:09:05.448726
MetadataPublished 2015-10-30
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000000045449 ZINC
680748 PubChem
The data in this table is sourced from UniChem at EBI.