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Melperone-M (hydrated-) MS2
SpectraBase Compound ID 6KXY5UT0VcL
InChI InChI=1S/C16H24FNO2/c1-13(9-12-19)8-11-18-10-2-3-16(20)14-4-6-15(17)7-5-14/h4-7,13,18-19H,2-3,8-12H2,1H3
InChIKey YTFLKGIJCHIJAL-UHFFFAOYSA-N
Mol Weight 281.37 g/mol
Molecular Formula C16H24FNO2
Exact Mass 281.179107 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID AxPwHEmt8er
Name Melperone-M (hydroxy-hydrated-)
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-305.00]
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Formula C16H24FNO2
InChI InChI=1S/C16H24FNO2/c1-13(9-12-19)8-11-18-10-2-3-16(20)14-4-6-15(17)7-5-14/h4-7,13,18-19H,2-3,8-12H2,1H3
InChIKey YTFLKGIJCHIJAL-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(CCCC(C1=CC=C(C=C1)F)=O)CCC(CCO)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