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1-(4-Fluorophenyl)propan-2-amine
SpectraBase Compound ID L8LPXV9mOnv
InChI InChI=1S/C9H12FN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey DGXWNDGLEOIEGT-UHFFFAOYSA-N
Mol Weight 153.2 g/mol
Molecular Formula C9H12FN
Exact Mass 153.095378 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID F95bd9eAOcZ
Name 4-Fluoro-amphetamine
CAS Registry Number 459-02-9
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-175.00]
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Formula C9H12FN
InChI InChI=1S/C9H12FN/c1-7(11)6-8-2-4-9(10)5-3-8/h2-5,7H,6,11H2,1H3
InChIKey DGXWNDGLEOIEGT-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES NC(CC1=CC=C(C=C1)F)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