Dataset

Crimidine; LC-ESI-Q; MS; POS; 30 V

This MassBank record with Accession MSBNK-Waters-WA002803 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-WA002803
Version
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Maintainer
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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
    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.