Dataset

N-Desmethylmirtazapine; LC-ESI-Q; MS; POS; 90 V

This MassBank record with Accession MSBNK-Waters-WA002907 contains the MS mass spectrum of N-Desmethylmirtazapine with the InChIkey FGLAMNFOHWVQOH-OAHLLOKOSA-N.

Chemical Information

molecular Image
InChI InChI=1S/C16H17N3/c1-2-6-14-12(4-1)10-13-5-3-7-18-16(13)19-9-8-17-11-15(14)19/h1-7,15,17H,8-11H2/t15-/m1/s1
SMILES c(c4)cc(C1)c(n4)N(C3)C([H])(CNC3)c(c2)c(ccc2)1
InChI Key FGLAMNFOHWVQOH-OAHLLOKOSA-N
Molecular Formula C16H17N3
Exact Mass 251.142 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-WA002907
Version
Author
Maintainer
Language
MetadataPublished 2016-01-19
Related Molecule
  • (7S)-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
    29918878 PubChem
    SCHEMBL9053102 SureChEMBL
    ZINC000021981254 ZINC
    4CQL24SY7U FDA SRS
    The data in this table is sourced from UniChem at EBI.