Dataset

Molsidomine

This MassBank record with Accession MSBNK-Waters-WA002977 contains the MS mass spectrum of Molsidomine with the InChIkey XLFWDASMENKTKL-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C9H14N4O4/c1-2-16-9(14)10-8-7-13(11-17-8)12-3-5-15-6-4-12/h7H,2-6H2,1H3
SMILES CCOC([O-1])=Nc(o2)c[n+1](n2)N(C1)CCOC1
InChI Key XLFWDASMENKTKL-UHFFFAOYSA-N
Molecular Formula C9H14N4O4
Exact Mass 242.101 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-WA002977
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:48:08.024376
MetadataModified 2024-01-11T22:48:08.188949
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
5360788 PubChem
5353788 PubChem
4238 PubChem
14749613 PubChem: Thomson Pharma
SCHEMBL34019 SureChEMBL
25717-80-0 ACToR
D46583G77X FDA SRS
31861 ChEBI
PD001642 ProbesDrugs
HMDB0245703 Human Metabolome Database
KABZES CCDC
MOLSIDOMINE clinicaltrials
DTXSID0045171 EPA CompTox Dashboard
92623 ChEBI
MCULE-1835289527 Mcule
DB09282 DrugBank
HY-B1069 MedChemExpress
MOLSIDOMINE rxnorm
39912 BindingDB
CHEMBL1329455 ChEMBL
12013439 PubChem: Drugs of the Future
1934981 eMolecules
The data in this table is sourced from UniChem at EBI.