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MassBank Record: WA002012

Triflupromazine (oxide); LC-ESI-Q; MS; POS; 45 V

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: WA002012
RECORD_TITLE: Triflupromazine (oxide); LC-ESI-Q; MS; POS; 45 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 45 V

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

PK$SPLASH: splash10-0udi-0009000000-827724f0e2d392811fb0
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  262 12 12
  280 67 67
  308 43 43
  324 27 27
  353 999 999
  354 176 176
  355 59 59
  369 302 302
  370 51 51
  371 20 20
  385 102 102
  386 16 16
//

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