Dataset

4-Hydroxydebrisoquin; LC-ESI-Q; MS; POS; 45 V

This MassBank record with Accession MSBNK-Waters-WA002893 contains the MS mass spectrum of 4-Hydroxydebrisoquin with the InChIkey AKFURXZANOMQBD-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C10H13N3O/c11-10(12)13-5-7-3-1-2-4-8(7)9(14)6-13/h1-4,9,14H,5-6H2,(H3,11,12)
SMILES NC(=N)N(C1)Cc(c2)c(ccc2)C(O)1
InChI Key AKFURXZANOMQBD-UHFFFAOYSA-N
Molecular Formula C10H13N3O
Exact Mass 191.106 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-WA002893
Version
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 4-hydroxy-3,4-dihydro-1H-isoquinoline-2-carboximidamide
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1710849 ChEMBL
    J385.174E Nikkaji
    SCHEMBL11720799 SureChEMBL
    MTBLC63800 Metabolights
    HMDB0006468 Human Metabolome Database
    60021066 NMRShiftDB
    63800 ChEBI
    59333-79-8 ACToR
    15042353 PubChem: Thomson Pharma
    107669 PubChem
    1935104 eMolecules
    The data in this table is sourced from UniChem at EBI.