Dataset

Crimidine

This MassBank record with Accession MSBNK-Waters-WA002803 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-WA002803
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:37:32.586592
MetadataModified 2025-02-09T20:22:45.145770
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
W34R2923T3 FDA SRS
15265379 PubChem: Thomson Pharma
535-89-7 ACToR
501339 eMolecules
SCHEMBL432253 SureChEMBL
MCULE-9002162033 Mcule
C19138 KEGG Ligand
CHEMBL1607733 ChEMBL
10813 PubChem
J6.348G Nikkaji
HMDB0250537 Human Metabolome Database
ZINC000001577127 ZINC
82258 ChEBI
DTXSID0041800 EPA CompTox Dashboard
245194 Brenda
The data in this table is sourced from UniChem at EBI.