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Trazodone-M (N-oxide) MS2
SpectraBase Compound ID J0BPABzO9KG
InChI InChI=1S/C19H23ClN5O2/c20-16-5-3-6-17(15-16)22-10-13-25(27,14-11-22)12-4-9-24-19(26)23-8-2-1-7-18(23)21-24/h1-3,5-8,15,27H,4,9-14H2/q+1
InChIKey GZCJMFFIYXKQFW-UHFFFAOYSA-N
Mol Weight 388.88 g/mol
Molecular Formula C19H23ClN5O2
Exact Mass 388.154028 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 5fOc09pkVew
Name Trazodone-M (N-oxide)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-415.00]
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Formula C19H22ClN5O2
InChI InChI=1S/C19H23ClN5O2/c20-16-5-3-6-17(15-16)22-10-13-25(27,14-11-22)12-4-9-24-19(26)23-8-2-1-7-18(23)21-24/h1-3,5-8,15,27H,4,9-14H2/q+1
InChIKey GZCJMFFIYXKQFW-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES O[N+]1(CCN(C2=CC=CC(=C2)Cl)CC1)CCCN1C(=O)N2C(C=CC=C2)=N1
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