Dataset

Triazolam; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000363 contains the MS mass spectrum of Triazolam with the InChIkey JOFWLTCLBGQGBO-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H12Cl2N4/c1-10-21-22-16-9-20-17(12-4-2-3-5-14(12)19)13-8-11(18)6-7-15(13)23(10)16/h2-8H,9H2,1H3
SMILES Clc(c3)cc(C=1c(c4)c(Cl)ccc4)c(c3)n(c(C)2)c(nn2)CN1
InChI Key JOFWLTCLBGQGBO-UHFFFAOYSA-N
Molecular Formula C17H12Cl2N4
Exact Mass 342.044 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-WA000363
Version
Author
Maintainer
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MetadataPublished 2016-01-19
Related Molecule
  • 8-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00897 drugbank
    CHEBI:9674 chebi
    CHEMBL646 chembl
    29228 surechembl
    29349744 surechembl
    29368430 surechembl
    29382425 surechembl
    5556 pubchem
    1HM943223R fdasrs
    7313 gtopdb
    PD009658 probes_and_drugs
    HMDB0015034 hmdb
    DTXSID6046763 comptox
    NCT00058955 clinicaltrials
    NCT00671632 clinicaltrials
    NCT00894699 clinicaltrials
    NCT01017926 clinicaltrials
    NCT01421043 clinicaltrials
    NCT01780259 clinicaltrials
    NCT01888497 clinicaltrials
    NCT02374567 clinicaltrials
    NCT03246724 clinicaltrials
    2729 drugcentral
    50001765 bindingdb
    The data in this table is sourced from UniChem at EBI.