Dataset

alpha-Hydroxytriazolam; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000907 contains the MS mass spectrum of alpha-Hydroxytriazolam with the InChIkey BHUYWUDMVCLHND-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H12Cl2N4O/c18-10-5-6-14-12(7-10)17(11-3-1-2-4-13(11)19)20-8-15-21-22-16(9-24)23(14)15/h1-7,24H,8-9H2
SMILES OCc(n4)n(c(n4)2)c(c3)c(cc(Cl)c3)C(=NC2)c(c1)c(Cl)ccc1
InChI Key BHUYWUDMVCLHND-UHFFFAOYSA-N
Molecular Formula C17H12Cl2N4O
Exact Mass 358.039 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-WA000907
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MetadataPublished 2016-01-19
Related Molecule
  • [8-chloro-6-(2-chlorophenyl)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-1-yl]methanol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    1963 PubChem
    CHEMBL3246753 ChEMBL
    ZINC000002565787 ZINC
    J435.417F Nikkaji
    166535 ChEBI
    538400 eMolecules
    J53Y2M2SAH FDA SRS
    37115-45-0 ACToR
    SCHEMBL10404543 SureChEMBL
    15472571 PubChem: Thomson Pharma
    HMDB0061053 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.