Dataset

Triazolam

This MassBank record with Accession MSBNK-Waters-WA000366 contains the MS mass spectrum of Triazolam with the InChIkey JOFWLTCLBGQGBO-UHFFFAOYSA-N.

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

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA000366
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:45:21.052481
MetadataModified	2024-01-11T22:45:21.223100
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

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