Dataset

Debrisoquin

This MassBank record with Accession MSBNK-Waters-WA002299 contains the MS mass spectrum of Debrisoquin with the InChIkey JWPGJSVJDAJRLW-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13N3/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13/h1-4H,5-7H2,(H3,11,12)
SMILES NC(=N)N(C1)Cc(c2)c(ccc2)C1
InChI Key JWPGJSVJDAJRLW-UHFFFAOYSA-N
Molecular Formula C10H13N3
Exact Mass 175.111 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-WA002299
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:49:29.824794
MetadataModified 2024-01-11T22:49:29.994393
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
DB04840 DrugBank
34665 ChEBI
CHEMBL169901 ChEMBL
C13650 KEGG Ligand
1835121 eMolecules
2966 PubChem
60020963 NMRShiftDB
PD009366 ProbesDrugs
X31CDK040E FDA SRS
14968163 PubChem: Thomson Pharma
SCHEMBL309184 SureChEMBL
PA452616 PharmGKB
1131-64-2 ACToR
MCULE-1553857299 Mcule
J7.269I Nikkaji
LSM-43253 LINCS
DEBRISOQUIN clinicaltrials
DEBRISOQUINE clinicaltrials
DEBRISOQUINE SULFATE rxnorm
DEBRISOQUIN rxnorm
ZINC000003594299 ZINC
DTXSID7022885 EPA CompTox Dashboard
50122613 BindingDB
788 DrugCentral
108848 Brenda
MTBLC34665 Metabolights
HMDB0006543 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.