MassBank Record: MSBNK-Keio_Univ-KO002898
ACCESSION: MSBNK-Keio_Univ-KO002898
RECORD_TITLE: Fenfluramine; LC-ESI-QQ; MS2; CE:50 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V
MS$FOCUSED_ION: PRECURSOR_M/Z 232
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0aor-9400000000-98167d6254e10b1cb5fe
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
41.100 19802.0 111
43.100 84158.5 472
55.000 79208.0 444
58.200 39604.0 222
67.300 178218.0 999
68.800 49505.0 278
70.400 44554.5 250
77.000 69307.0 389
77.800 19802.0 111
79.200 29703.0 167
81.300 34653.5 194
82.300 19802.0 111
90.900 54455.5 305
95.300 64356.5 361
98.200 44554.5 250
109.000 138614.0 777
109.500 99010.0 555
121.100 19802.0 111
159.200 113861.5 638
//