Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C13H24O3S/c1-12(14)17-11-9-7-5-3-2-4-6-8-10-13(15)16/h2-11H2,1H3,(H,15,16)
SMILES OC(=O)CCCCCCCCCCSC(=O)C
InChI Key DHKWYRRJFXRZOA-UHFFFAOYSA-N
Molecular Formula C13H24O3S
Exact Mass 260.393 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/DHKWYRRJFXRZOA-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/DHKWYRRJFXRZOA-UHFFFAOYSA-N/Mass/EI
Version
Author Sylvain Grosjean
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:34:20.562181
MetadataModified 2024-09-07T11:53:55.533295
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DTXSID70281884 EPA CompTox Dashboard
SCHEMBL1647647 SureChEMBL
J1.293.290A Nikkaji
229573 PubChem
16363650 PubChem: Thomson Pharma
6974-31-8 ACToR
The data in this table is sourced from UniChem at EBI.