Dataset

8-Hydroxymirtazapine; LC-ESI-QFT; MS2; CE: 15%; R=17500; [M+H]+

This MassBank record with Accession MSBNK-Eawag-EQ00371201 contains the MS2 mass spectrum of 8-Hydroxymirtazapine with the InChIkey DAWYIZBOUQIVNX-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19N3O/c1-19-6-7-20-16(11-19)15-5-3-2-4-12(15)8-13-9-14(21)10-18-17(13)20/h2-5,9-10,16,21H,6-8,11H2,1H3
SMILES CN1CCN2C(C1)C3=CC=CC=C3CC4=CC(=CN=C42)O
InChI Key DAWYIZBOUQIVNX-UHFFFAOYSA-N
Molecular Formula C17H19N3O
Exact Mass 281.153 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00371201
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Maintainer
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MetadataPublished 2024-05-08
Related Molecule
  • 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaen-17-ol
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    11500131 PubChem
    PD164042 ProbesDrugs
    26948224 eMolecules
    16602053 PubChem: Thomson Pharma
    HMDB0060957 Human Metabolome Database
    LZE1T7L9SL FDA SRS
    DTXSID60467650 EPA CompTox Dashboard
    J2.243.321K Nikkaji
    CB1149753 ChemicalBook
    The data in this table is sourced from UniChem at EBI.