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Melperone-M (oxo-) MS2
SpectraBase Compound ID K1or47eCU3r
InChI InChI=1S/C16H20FNO2/c1-12-8-10-18(16(20)11-12)9-2-3-15(19)13-4-6-14(17)7-5-13/h4-7,12H,2-3,8-11H2,1H3
InChIKey ZRCNJGSGQYOMBV-UHFFFAOYSA-N
Mol Weight 277.34 g/mol
Molecular Formula C16H20FNO2
Exact Mass 277.147807 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID HoQkVhtCXLQ
Name Melperone-M (oxo-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-300.00]
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Formula C16H20FNO2
InChI InChI=1S/C16H20FNO2/c1-12-8-10-18(16(20)11-12)9-2-3-15(19)13-4-6-14(17)7-5-13/h4-7,12H,2-3,8-11H2,1H3
InChIKey ZRCNJGSGQYOMBV-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES CC1CCN(C(C1)=O)CCCC(C=1C=CC(=CC1)F)=O
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