MassBank Record: MSBNK-Keio_Univ-KO002895
ACCESSION: MSBNK-Keio_Univ-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
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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 V
MS$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
//