Dataset

alpha-Hydroxytriazolam

This MassBank record with Accession MSBNK-Waters-WA000906 contains the MS mass spectrum of alpha-Hydroxytriazolam with the InChIkey BHUYWUDMVCLHND-UHFFFAOYSA-N.

Chemical Info

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-WA000906
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:36:53.875357
MetadataModified 2025-02-09T20:21:36.130013
MetadataPublished 2016-01-19
Related Molecule
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.