Dataset

Alprazolam; LC-ESI-Q; MS; POS; 75 V

This MassBank record with Accession MSBNK-Waters-WA000902 contains the MS 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 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
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Maintainer
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MetadataPublished 2016-01-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DB00404 drugbank
    CHEBI:2611 chebi
    08H rcsb_pdb
    CHEMBL661 chembl
    29381667 surechembl
    8398 surechembl
    2118 pubchem
    7111 gtopdb
    PD003153 probes_and_drugs
    MENMIB CCDC
    88187 brenda
    YU55MQ3IZY fdasrs
    HMDB0014548 hmdb
    136 drugcentral
    50001728 bindingdb
    The data in this table is sourced from UniChem at EBI.