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am-2201
SpectraBase Compound ID 4C3eFhGDN0a
InChI InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2
InChIKey ALQFAGFPQCBPED-UHFFFAOYSA-N
Mol Weight 359.44 g/mol
Molecular Formula C24H22FNO
Exact Mass 359.168542 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID CBjjDVY4Miz
Name AM-2201 ##
CAS Registry Number 335161-24-5
Collision Gas N2
Comments FTMS + p ESI d Full ms2 [email protected] [50.00-385.00]
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Formula C24H22FNO
InChI InChI=1S/C24H22FNO/c25-15-6-1-7-16-26-17-22(20-12-4-5-14-23(20)26)24(27)21-13-8-10-18-9-2-3-11-19(18)21/h2-5,8-14,17H,1,6-7,15-16H2
InChIKey ALQFAGFPQCBPED-UHFFFAOYSA-N
Inlet Type UHPLC
Instrument Name Thermo Fisher Q Exactive Orbitrap
Ion Polarity P
Ionization Type HESI
Precursor Ion [M+H]+
SMILES C12=C(C=CC=C2C=CC=C1)C(C=1C2=CC=CC=C2N(C1)CCCCCF)=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