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MassBank Record: WA002010

Triflupromazine (oxide); LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: 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
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  261 16 16
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  283 12 12
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  324 63 63
  353 24 24
  369 63 63
  385 16 16
//

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