Dataset

mass spectrometry (MS)

dataset for mass spectrometry (MS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/C7H9NS/c1-5-2-3-6(8)7(9)4-5/h2-4,9H,8H2,1H3
SMILES Cc1ccc(c(c1)S)N
InChI Key VUMZNLOQJGKGNE-UHFFFAOYSA-N
Molecular Formula C7H9NS
Exact Mass 139.218 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VUMZNLOQJGKGNE-UHFFFAOYSA-N/CHMO0000470
License URL
Source https://www.chemotion-repository.net/inchikey/VUMZNLOQJGKGNE-UHFFFAOYSA-N/CHMO0000470
Version
Author Simone Gräßle
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-07T02:27:45.787059
MetadataModified 2024-09-07T17:00:34.168071
MetadataPublished 2020-02-28
Field Value
Measurement Technique mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
323260 PubChem
MCULE-7146736809 Mcule
SCHEMBL1983476 SureChEMBL
DTXSID30314369 EPA CompTox Dashboard
J88.163E Nikkaji
CB92210655 ChemicalBook
ZINC000001564425 ZINC
15016650 PubChem: Thomson Pharma
CHEMBL1971557 ChEMBL
23451-96-9 ACToR
The data in this table is sourced from UniChem at EBI.