ACCESSION: MSBNK-Waters-WA002011
RECORD_TITLE: Triflupromazine (oxide); LC-ESI-Q; MS; POS; 60 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2011.05.06)
AUTHORS: Nihon Waters K.K.
LICENSE: CC BY-NC

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$LINK: CAS 146-54-3
CH$LINK: INCHIKEY XSCGXQMFQXDFCW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023704

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 15.650 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
AC$CHROMATOGRAPHY: SAMPLING_CONE 60 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-00lr-0097000000-8f8144225bb7e1e786f7
PK$NUM_PEAK: 40
PK$PEAK: m/z int. rel.int.
  102 24 24
  117 12 12
  124 12 12
  133 43 43
  201 16 16
  230 20 20
  239 27 27
  248 215 215
  249 20 20
  260 24 24
  262 141 141
  263 16 16
  266 102 102
  267 118 118
  268 24 24
  274 12 12
  275 43 43
  276 20 20
  280 999 999
  281 125 125
  282 55 55
  291 39 39
  294 43 43
  296 67 67
  306 12 12
  307 94 94
  308 219 219
  309 27 27
  321 24 24
  324 208 208
  325 20 20
  338 31 31
  353 388 388
  354 71 71
  355 20 20
  369 501 501
  370 82 82
  371 24 24
  385 110 110
  386 16 16
//