Dataset

Alprazolam

This MassBank record with Accession MSBNK-Waters-WA000902 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-WA000902
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T22:36:37.186169
MetadataModified 2025-02-09T20:27:27.776936
MetadataPublished 2016-01-19
Related Molecule
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
524672 eMolecules
28981-97-7 ACToR
14800856 PubChem: Thomson Pharma
LSM-5460 LINCS
2118 PubChem
08H PDBe
PD003153 ProbesDrugs
YU55MQ3IZY FDA SRS
HMDB0014548 Human Metabolome Database
88187 Brenda
alprazolam DailyMed
SCHEMBL8398 SureChEMBL
MCULE-1215564244 Mcule
CHEMBL661 ChEMBL
DB00404 DrugBank
2611 ChEBI
C06817 KEGG Ligand
SAM001246696 NIH Clinical Collection
12013413 PubChem: Drugs of the Future
ALPRAZOLAM DailyMed
ALPRAZOLAM rxnorm
ALPRAZOLAM clinicaltrials
XANAX clinicaltrials
NIRAVAM clinicaltrials
XANAX rxnorm
CB14845167 ChemicalBook
50001728 BindingDB
MENMIB CCDC
J9.279G Nikkaji
7111 Guide to Pharmacology
ZINC000000000903 ZINC
136 DrugCentral
DTXSID4022577 EPA CompTox Dashboard
PA448333 PharmGKB
CB23607305 ChemicalBook
The data in this table is sourced from UniChem at EBI.