MassBank Record: KO002894



 Fenfluramine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002894
RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F016

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$LINK: CAS 458-24-2 CH$LINK: KEGG C06996 CH$LINK: NIKKAJI J5.760F CH$LINK: PUBCHEM SID:9209
AC$INSTRUMENT: API3000, Applied Biosystems AC$INSTRUMENT_TYPE: LC-ESI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10 V
MS$FOCUSED_ION: PRECURSOR_M/Z 232 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-014i-0290000000-a4eef1b513aee06fe04c PK$NUM_PEAK: 37 PK$PEAK: m/z int. rel.int. 50.000 64356.5 5 68.100 69307.0 5 76.100 321782.5 25 78.400 277228.0 22 82.300 173267.5 14 83.100 29703.0 2 85.400 34653.5 3 88.100 64356.5 5 89.900 19802.0 2 96.400 64356.5 5 98.000 430693.5 34 99.100 49505.0 4 102.800 39604.0 3 110.100 163366.5 13 110.700 14851.5 1 112.800 44554.5 4 124.400 24752.5 2 127.200 544555.0 43 131.800 39604.0 3 140.000 603961.0 48 141.100 29703.0 2 143.100 440594.5 35 150.100 84158.5 7 154.300 54455.5 4 157.200 717822.5 57 159.800 49505.0 4 167.900 54455.5 4 172.200 1153466.5 91 182.900 123762.5 10 187.100 39604.0 3 194.100 212871.5 17 196.100 54455.5 4 197.500 475248.0 38 200.000 188119.0 15 214.000 89109.0 7 215.300 12613874.0 999 232.300 5960402.0 472 //