Dataset

Crimidine; LC-ESI-Q; MS; POS; 15 V

This MassBank record with Accession MSBNK-Waters-WA002804 contains the MS mass spectrum of Crimidine with the InChIkey HJIUPFPIEBPYIE-UHFFFAOYSA-N.

Chemical Information

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-WA002804
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • 2-chloro-N,N,6-trimethylpyrimidin-4-amine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEBI:82258 chebi
    CHEMBL1607733 chembl
    30336057 surechembl
    432253 surechembl
    10813 pubchem
    W34R2923T3 fdasrs
    245194 brenda
    HMDB0250537 hmdb
    The data in this table is sourced from UniChem at EBI.