MassBank Record: MSBNK-Keio_Univ-KO002894
ACCESSION: MSBNK-Keio_Univ-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
CH$LINK: INCHIKEY
DBGIVFWFUFKIQN-UHFFFAOYSA-N
CH$LINK: COMPTOX
DTXSID4023044
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
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76.100 321782.5 25
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99.100 49505.0 4
102.800 39604.0 3
110.100 163366.5 13
110.700 14851.5 1
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131.800 39604.0 3
140.000 603961.0 48
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150.100 84158.5 7
154.300 54455.5 4
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172.200 1153466.5 91
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214.000 89109.0 7
215.300 12613874.0 999
232.300 5960402.0 472
//