MassBank Record: WA002015



 Trifluoperazine (oxide); LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002015
RECORD_TITLE: Trifluoperazine (oxide); LC-ESI-Q; MS; POS; 75 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$NAME: Trifluoperazine (oxide) CH$COMPOUND_CLASS: N/A CH$FORMULA: C21H24F3N3OS CH$EXACT_MASS: 423.15922 CH$SMILES: CN(C4)CCN(C4)CCCN(c21)c(c3)c(ccc(C(F)(F)F)3)S(=O)c(cccc2)1 CH$IUPAC: InChI=1S/C21H24F3N3OS/c1-25-11-13-26(14-12-25)9-4-10-27-17-5-2-3-6-19(17)29(28)20-8-7-16(15-18(20)27)21(22,23)24/h2-3,5-8,15H,4,9-14H2,1H3 CH$LINK: CAS 117-89-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.140 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 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0920000000-e2b3f6cbaf247bbd5bdb PK$NUM_PEAK: 33 PK$PEAK: m/z int. rel.int. 101 35 35 111 141 141 113 999 999 114 47 47 117 24 24 124 12 12 127 24 24 133 16 16 139 55 55 141 396 396 142 20 20 155 12 12 230 12 12 248 71 71 262 20 20 266 78 78 267 24 24 280 223 223 281 31 31 282 12 12 291 12 12 294 20 20 296 24 24 307 27 27 308 16 16 310 20 20 324 35 35 353 47 47 405 20 20 408 20 20 424 82 82 425 12 12 440 27 27 //