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
    14875826 PubChem: Thomson Pharma
    5556 PubChem
    PD009658 ProbesDrugs
    1HM943223R FDA SRS
    28911-01-5 ACToR
    PA451753 PharmGKB
    triazolam Atlas
    595231 eMolecules
    HMDB0015034 Human Metabolome Database
    triazolam DailyMed
    SCHEMBL29228 SureChEMBL
    CHEMBL646 ChEMBL
    9674 ChEBI
    12013397 PubChem: Drugs of the Future
    DB00897 DrugBank
    J9.291F Nikkaji
    ZINC000000002212 ZINC
    2729 DrugCentral
    DTXSID6046763 EPA CompTox Dashboard
    TRIAZOLAM clinicaltrials
    HALCION clinicaltrials
    HALCION rxnorm
    TRIAZOLAM rxnorm
    TRIAZOLAM DailyMed
    7313 Guide to Pharmacology
    50001765 BindingDB
    The data in this table is sourced from UniChem at EBI.