Dataset

Tofisopam

This MassBank record with Accession MSBNK-Waters-WA000623 contains the MS mass spectrum of Tofisopam with the InChIkey RUJBDQSFYCKFAA-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3
SMILES COc(c3)c(OC)cc(c3)C(=N1)c(c2)c(cc(OC)c(OC)2)C(CC)C(C)=N1
InChI Key RUJBDQSFYCKFAA-UHFFFAOYSA-N
Molecular Formula C22H26N2O4
Exact Mass 382.189 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000623
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:28.866589
MetadataModified 2024-01-11T22:46:29.038985
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5502 PubChem
JPU PDBe
14902562 PubChem: Thomson Pharma
SCHEMBL43522 SureChEMBL
22345-47-7 ACToR
PD009199 ProbesDrugs
J11.504E Nikkaji
TOFISOPAM rxnorm
TOFISOPAM clinicaltrials
2693 DrugCentral
DTXSID3023681 EPA CompTox Dashboard
32241 ChEBI
UZC80HAU42 FDA SRS
HMDB0015699 Human Metabolome Database
CB3738807 ChemicalBook
DB08811 DrugBank
CHEMBL404216 ChEMBL
595152 eMolecules
The data in this table is sourced from UniChem at EBI.