MassBank Record: KO002897



 Fenfluramine; LC-ESI-QQ; MS2; CE:40 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002897
RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:40 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 V
MS$FOCUSED_ION: PRECURSOR_M/Z 232 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4i-9600000000-b49ac50c8a44403f71f6 PK$NUM_PEAK: 40 PK$PEAK: m/z int. rel.int. 41.200 19802.0 28 43.000 247525.0 347 55.200 113861.5 160 57.100 113861.5 160 59.000 133663.5 187 67.400 39604.0 56 69.100 133663.5 187 70.300 24752.5 35 71.200 89109.0 125 73.000 69307.0 97 76.100 138614.0 194 77.000 89109.0 125 77.900 54455.5 76 79.300 74257.5 104 80.900 79208.0 111 82.100 49505.0 69 83.400 74257.5 104 86.200 24752.5 35 88.600 19802.0 28 90.900 89109.0 125 93.000 24752.5 35 93.400 39604.0 56 95.400 128713.0 180 96.100 39604.0 56 97.100 64356.5 90 98.300 118812.0 167 99.300 64356.5 90 100.800 29703.0 42 105.100 158416.0 222 106.900 29703.0 42 109.300 173267.5 243 111.400 49505.0 69 113.700 9901.0 14 119.300 34653.5 49 123.400 44554.5 62 140.100 153465.5 215 147.300 34653.5 49 151.200 39604.0 56 159.100 712872.0 999 179.000 49505.0 69 //