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Mirtazapine
SpectraBase Compound ID Iw7FbasOCOR
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
InChIKey RONZAEMNMFQXRA-UHFFFAOYSA-N
Mol Weight 265.36 g/mol
Molecular Formula C17H19N3
Exact Mass 265.157898 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID JZh3SpX2Iaj
Name Mirtazapine
CAS Registry Number 61337-67-5
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-290.00]
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Formula C17H19N3
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
InChIKey RONZAEMNMFQXRA-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C=12N3C(C=4C(CC2=CC=CN1)=CC=CC4)CN(CC3)C
Sample Comments The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Selected Ion Charge 1
Source of Spectrum Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar
Spectrum Type ms2
Technique HCD