ACCESSION: MSBNK-Waters-WA002010
RECORD_TITLE: Triflupromazine (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: 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 75 V

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

PK$SPLASH: splash10-00l2-0091000000-6b228f0c4f5bd0d446eb
PK$NUM_PEAK: 45
PK$PEAK: m/z int. rel.int.
  102 12 12
  106 16 16
  117 24 24
  124 12 12
  133 39 39
  201 16 16
  211 20 20
  212 27 27
  216 16 16
  225 12 12
  230 59 59
  239 35 35
  241 12 12
  247 24 24
  248 999 999
  249 102 102
  254 12 12
  260 114 114
  261 16 16
  262 106 106
  263 20 20
  264 12 12
  266 392 392
  267 204 204
  268 43 43
  274 31 31
  275 39 39
  276 24 24
  280 858 858
  281 110 110
  282 51 51
  283 12 12
  289 12 12
  291 31 31
  293 16 16
  294 43 43
  296 63 63
  306 63 63
  307 106 106
  308 78 78
  309 16 16
  324 63 63
  353 24 24
  369 63 63
  385 16 16
//