MassBank Record: KO009108

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Fenfluramine; LC-ESI-IT; MS3; m/z: 232/187; [M+H]+

Mass Spectrum
Chemical Structure
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ACCESSION: KO009108
RECORD_TITLE: Fenfluramine; LC-ESI-IT; MS3; m/z: 232/187; [M+H]+
DATE: 2011.12.05 (Created 2008.05.12)
AUTHORS: Ojima Y, Kakazu Y, Horai H, Soga T, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID F016
COMMENT: [MS2] KO009107

CH$NAME: Fenfluramine
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H16F3N
CH$EXACT_MASS: 231.123480000000000700310920365154743194580078125
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: COMPTOX DTXSID4023044
CH$LINK: INCHIKEY DBGIVFWFUFKIQN-UHFFFAOYSA-N
CH$LINK: KEGG C06996
CH$LINK: NIKKAJI J5.760F
CH$LINK: PUBCHEM SID:9209

AC$INSTRUMENT: LC/MSD Trap XCT, Agilent Technologies
AC$INSTRUMENT_TYPE: LC-ESI-IT
AC$MASS_SPECTROMETRY: MS_TYPE MS3
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 0.70/0.60

MS$FOCUSED_ION: PRECURSOR_M/Z 232/187
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE LC/MSD Trap Control and Data Analysis

PK$SPLASH: splash10-0a4i-0900000000-ca4be30937b926c43438
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  75.2 2.23 2
  117.2 1.15 1
  145.1 1.62 2
  159.1 1061.78 999
  171.0 11.92 11
  188.1 5.23 5
  211.1 1.85 2
//