MassBank Record: KO002895



 Fenfluramine; LC-ESI-QQ; MS2; CE:20 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002895
RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:20 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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$FOCUSED_ION: PRECURSOR_M/Z 232 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kb-2930000000-e89db6ca285f5e38a85e PK$NUM_PEAK: 54 PK$PEAK: m/z int. rel.int. 50.400 49505.0 23 56.900 29703.0 14 70.900 222772.5 103 73.100 39604.0 18 76.000 297030.0 137 77.700 54455.5 25 78.100 138614.0 64 83.100 99010.0 46 85.400 29703.0 14 87.800 19802.0 9 88.700 49505.0 23 91.400 24752.5 11 94.900 54455.5 25 97.100 202970.5 94 98.000 589109.5 272 101.100 34653.5 16 102.700 39604.0 18 106.300 29703.0 14 109.400 361386.5 167 110.800 39604.0 18 112.300 19802.0 9 115.300 64356.5 30 116.700 14851.5 7 121.100 29703.0 14 123.000 44554.5 21 124.300 24752.5 11 127.300 1277229.0 590 128.900 84158.5 39 131.900 74257.5 34 133.000 14851.5 7 140.100 495050.0 229 141.300 74257.5 34 142.100 103960.5 48 143.300 465347.0 215 146.800 34653.5 16 150.200 64356.5 30 151.100 89109.0 41 153.400 14851.5 7 154.800 24752.5 11 157.300 381188.5 176 158.800 584159.0 270 160.000 59406.0 27 169.100 128713.0 59 172.200 242574.5 112 175.800 19802.0 9 179.000 133663.5 62 179.600 49505.0 23 182.900 34653.5 16 187.200 297030.0 137 194.500 59406.0 27 197.500 2103962.5 972 200.000 14851.5 7 215.100 2163368.5 999 232.200 955446.5 441 //