Dataset

Mirtazapine; LC-ESI-QTOF; MS2; CE: 40 eV; R=35000; [M+H]+

This MassBank record with Accession MSBNK-Athens_Univ-AU155104 contains the MS2 mass spectrum of Mirtazapine with the InChIkey RONZAEMNMFQXRA-UHFFFAOYSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C17H19N3/c1-19-9-10-20-16(12-19)15-7-3-2-5-13(15)11-14-6-4-8-18-17(14)20/h2-8,16H,9-12H2,1H3
SMILES CN1CCN2C(C1)C1=C(CC3=C2N=CC=C3)C=CC=C1
InChI Key RONZAEMNMFQXRA-UHFFFAOYSA-N
Molecular Formula C17H19N3
Exact Mass 265.158 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-Athens_Univ-AU155104
Version
Author
Maintainer
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MetadataPublished 2015-12-07
Related Molecule
  • 5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
    • Field Value
    Measurement Technique liquid chromatography-mass spectrometry
    Measurement Variables
    Data-Source Molecule ID Data-Source
    CHEMBL654 ChEMBL
    6950 ChEBI
    SAM001246659 NIH Clinical Collection
    12013213 PubChem: Drugs of the Future
    DB00370 DrugBank
    C07570 KEGG Ligand
    1816 DrugCentral
    J22.953I Nikkaji
    DTXSID0023325 EPA CompTox Dashboard
    A051Q2099Q FDA SRS
    REMERON clinicaltrials
    ORG-3770 clinicaltrials
    ORG 3770 clinicaltrials
    REXER clinicaltrials
    HY-B0352 MedChemExpress
    ZISPIN clinicaltrials
    MIRTAZAPINE clinicaltrials
    AVANZA clinicaltrials
    50115644 BindingDB
    MIRTAZAPINE rxnorm
    REMERON rxnorm
    MIRATAZ rxnorm
    MIRTAZAPINE DailyMed
    7241 Guide to Pharmacology
    PD000124 ProbesDrugs
    LSM-1706 LINCS
    85650-52-8 ACToR
    61337-67-5 ACToR
    14848184 PubChem: Thomson Pharma
    PA450522 PharmGKB
    mirtazapine-remeron-avanza Selleck
    SCHEMBL35408 SureChEMBL
    591516 eMolecules
    CB7463387 ChemicalBook
    CB0463388 ChemicalBook
    mirtazapine DailyMed
    210369 Brenda
    HMDB0014514 Human Metabolome Database
    MCULE-1174883554 Mcule
    4205 PubChem
    The data in this table is sourced from UniChem at EBI.