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Bupropion
SpectraBase Compound ID ICxPjJhb50a
InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
InChIKey SNPPWIUOZRMYNY-UHFFFAOYSA-N
Mol Weight 239.75 g/mol
Molecular Formula C13H18ClNO
Exact Mass 239.107692 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID Ka6sSVFYyg1
Name Amfebutamone ##
CAS Registry Number 34911-55-2
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-265.00]
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Formula C13H18ClNO
InChI InChI=1S/C13H18ClNO/c1-9(15-13(2,3)4)12(16)10-6-5-7-11(14)8-10/h5-9,15H,1-4H3
InChIKey SNPPWIUOZRMYNY-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES N(C(C(C1=CC(Cl)=CC=C1)=O)C)C(C)(C)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