Dataset

alpha-Hydroxymidazolam; LC-ESI-QTOF; MS2; CE: 10 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU227701 contains the MS2 mass spectrum of alpha-Hydroxymidazolam with the InChIkey QHSMEGADRFZVNE-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2
SMILES C1C2=CN=C(N2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4F)CO
InChI Key QHSMEGADRFZVNE-UHFFFAOYSA-N
Molecular Formula C18H13ClFN3O
Exact Mass 341.073 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-Athens_Univ-AU227701
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MetadataPublished 2018-12-19
Related Molecule
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    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL1188 ChEMBL
    50134248 BindingDB
    MTBLC145330 Metabolights
    145330 ChEBI
    HY-118645 MedChemExpress
    J344.583F Nikkaji
    DTXSID50208175 EPA CompTox Dashboard
    CB3147586 ChemicalBook
    ZINC000002570878 ZINC
    PD021376 ProbesDrugs
    14851557 PubChem: Thomson Pharma
    59468-90-5 ACToR
    SCHEMBL7310758 SureChEMBL
    595097 eMolecules
    107917 PubChem
    E5142BN92Z FDA SRS
    HMDB0061089 Human Metabolome Database
    The data in this table is sourced from UniChem at EBI.