Dataset

Crimidine

This MassBank record with Accession MSBNK-Waters-WA002800 contains the MS mass spectrum of Crimidine with the InChIkey HJIUPFPIEBPYIE-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C7H10ClN3/c1-5-4-6(11(2)3)10-7(8)9-5/h4H,1-3H3
SMILES CN(C)c(c1)nc(Cl)nc(C)1
InChI Key HJIUPFPIEBPYIE-UHFFFAOYSA-N
Molecular Formula C7H10ClN3
Exact Mass 171.056 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-WA002800
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:50:50.215529
MetadataModified 2024-01-11T22:50:50.378503
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
245194 Brenda
ZINC000001577127 ZINC
DTXSID0041800 EPA CompTox Dashboard
82258 ChEBI
10813 PubChem
W34R2923T3 FDA SRS
15265379 PubChem: Thomson Pharma
535-89-7 ACToR
J6.348G Nikkaji
HMDB0250537 Human Metabolome Database
MCULE-9002162033 Mcule
SCHEMBL432253 SureChEMBL
501339 eMolecules
C19138 KEGG Ligand
CHEMBL1607733 ChEMBL
The data in this table is sourced from UniChem at EBI.