Dataset

electron ionisation mass spectrometry (EI-MS)

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

Chemical Info

molecular Image
InChI InChI=1S/C17H18N2OS/c1-12-6-5-7-13(2)16(12)20-10-11-21-17-18-14-8-3-4-9-15(14)19-17/h3-9H,10-11H2,1-2H3,(H,18,19)
SMILES Cc1cccc(c1OCCSc1nc2c([nH]1)cccc2)C
InChI Key VFDZGOPEFRPFRE-UHFFFAOYSA-N
Molecular Formula C17H18N2OS
Exact Mass 298.403 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/VFDZGOPEFRPFRE-UHFFFAOYSA-N/Mass/EI
License URL
Source https://www.chemotion-repository.net/inchikey/VFDZGOPEFRPFRE-UHFFFAOYSA-N/Mass/EI
Version
Author Steven Susanto
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-06T22:52:03.310709
MetadataModified 2024-09-07T12:11:55.243806
MetadataPublished 2014-05-27
Field Value
Measurement Technique electron ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
2254186 PubChem
163634679 PubChem: Thomson Pharma
1178894 eMolecules
CHEMBL2316542 ChEMBL
50425734 BindingDB
MCULE-2592800694 Mcule
MolPort-001-919-493 MolPort
ZINC000002908143 ZINC
The data in this table is sourced from UniChem at EBI.