Dataset

Alprazolam

This MassBank record with Accession MSBNK-Waters-WA000903 contains the MS mass spectrum of Alprazolam with the InChIkey VREFGVBLTWBCJP-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C17H13ClN4/c1-11-20-21-16-10-19-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)22(11)16/h2-9H,10H2,1H3
SMILES Clc(c3)cc(C=1c(c4)cccc4)c(c3)n(c(C)2)c(nn2)CN1
InChI Key VREFGVBLTWBCJP-UHFFFAOYSA-N
Molecular Formula C17H13ClN4
Exact Mass 308.083 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-WA000903
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:46:43.110879
MetadataModified 2024-01-11T22:46:43.274989
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
YU55MQ3IZY FDA SRS
LSM-5460 LINCS
28981-97-7 ACToR
14800856 PubChem: Thomson Pharma
2118 PubChem
PD003153 ProbesDrugs
08H PDBe
MCULE-1215564244 Mcule
7111 Guide to Pharmacology
MENMIB CCDC
SCHEMBL8398 SureChEMBL
J9.279G Nikkaji
88187 Brenda
PA448333 PharmGKB
CB23607305 ChemicalBook
alprazolam DailyMed
HMDB0014548 Human Metabolome Database
ZINC000000000903 ZINC
136 DrugCentral
DTXSID4022577 EPA CompTox Dashboard
NIRAVAM clinicaltrials
XANAX clinicaltrials
ALPRAZOLAM clinicaltrials
ALPRAZOLAM rxnorm
XANAX rxnorm
ALPRAZOLAM DailyMed
CB14845167 ChemicalBook
50001728 BindingDB
524672 eMolecules
CHEMBL661 ChEMBL
DB00404 DrugBank
2611 ChEBI
C06817 KEGG Ligand
SAM001246696 NIH Clinical Collection
12013413 PubChem: Drugs of the Future
The data in this table is sourced from UniChem at EBI.