Dataset

Alprazolam; LC-ESI-QQ; MS2; ESI; POSITIVE; CE 50 V; [M+H]+

This MassBank record with Accession MSBNK-MSSJ-MSJ01515 contains the MS2 mass spectrum of Alprazolam with the InChIkey VREFGVBLTWBCJP-UHFFFAOYSA-N.

Chemical Information

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 CC1=NN=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4
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/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-MSSJ-MSJ01515
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Maintainer
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MetadataPublished 2023-03-24
Related Molecule
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    • 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.