MassBank Record: KO002896



 Fenfluramine; LC-ESI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: KO002896
RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 V
MS$FOCUSED_ION: PRECURSOR_M/Z 232 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0a4j-5900000000-d43b57acff766553a26a PK$NUM_PEAK: 57 PK$PEAK: m/z int. rel.int. 43.100 113861.5 105 46.000 34653.5 32 54.900 34653.5 32 56.900 49505.0 46 58.700 19802.0 18 66.800 79208.0 73 69.000 143564.5 133 70.900 227723.0 211 73.300 84158.5 78 76.200 173267.5 160 77.000 39604.0 37 79.100 44554.5 41 81.000 74257.5 69 81.500 24752.5 23 82.300 39604.0 37 83.000 128713.0 119 85.300 84158.5 78 85.900 34653.5 32 88.700 54455.5 50 90.800 49505.0 46 93.100 19802.0 18 95.000 168317.0 156 95.500 39604.0 37 96.200 39604.0 37 96.900 222772.5 206 97.800 297030.0 275 98.500 99010.0 92 101.300 94059.5 87 104.000 29703.0 27 104.800 79208.0 73 107.100 64356.5 60 107.400 34653.5 32 108.900 415842.0 385 111.000 118812.0 110 112.900 44554.5 41 117.500 24752.5 23 121.100 19802.0 18 123.200 64356.5 60 124.400 29703.0 27 127.200 103960.5 96 132.300 34653.5 32 140.100 287129.0 266 141.000 69307.0 64 142.900 69307.0 64 145.300 24752.5 23 151.300 207921.0 192 152.100 19802.0 18 153.900 49505.0 46 156.800 49505.0 46 159.100 1079209.0 999 162.000 39604.0 37 169.100 64356.5 60 173.800 39604.0 37 179.300 311881.5 289 197.100 841585.0 779 215.300 99010.0 92 232.200 44554.5 41 //