MassBank Record: WA002009



 Triflupromazine (oxide); LC-ESI-Q; MS; POS; 90 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002009
RECORD_TITLE: Triflupromazine (oxide); LC-ESI-Q; MS; POS; 90 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Triflupromazine (oxide) CH$COMPOUND_CLASS: N/A CH$FORMULA: C18H19F3N2S CH$EXACT_MASS: 352.12210 CH$SMILES: CN(C)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)Sc(cccc2)1 CH$IUPAC: InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3 CH$LINK: CAS 146-54-3
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.650 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 90 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0002-0090000000-c220dbec027747c80742 PK$NUM_PEAK: 32 PK$PEAK: m/z int. rel.int. 117 12 12 206 12 12 211 24 24 212 12 12 216 12 12 228 16 16 230 43 43 235 16 16 239 12 12 240 24 24 246 12 12 247 82 82 248 999 999 249 106 106 254 12 12 260 82 82 261 20 20 262 27 27 266 290 290 267 98 98 268 20 20 274 27 27 275 12 12 280 219 219 281 27 27 282 12 12 289 12 12 293 16 16 296 12 12 306 47 47 307 24 24 308 12 12 //