MassBank Record: WA001707



 Fenfluramine; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001707
RECORD_TITLE: Fenfluramine; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Dexfenfluramine CH$NAME: Fenfluramine CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H16F3N CH$EXACT_MASS: 231.12348 CH$SMILES: CCNC(C)Cc(c1)cc(cc1)C(F)(F)F CH$IUPAC: InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3 CH$LINK: CAS 3239-44-9
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 13.470 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-001i-0390000000-841c9497bb3b0d0f7ba8 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 159 208 208 160 16 16 167 12 12 187 188 188 188 20 20 200 74 74 201 8 8 228 8 8 232 999 999 233 133 133 234 8 8 273 8 8 //