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MassBank Record: WA002158

Tiapride; LC-ESI-Q; MS; POS; 75 V

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

ACCESSION: WA002158
RECORD_TITLE: Tiapride; 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$NAME: Tiapride
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C15H24N2O4S
CH$EXACT_MASS: 328.14568
CH$SMILES: CCN(CC)CCNC(=O)c(c(OC)1)cc(cc1)S(C)(=O)=O
CH$IUPAC: InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)
CH$LINK: CAS 51012-32-9
CH$LINK: INCHIKEY JTVPZMFULRWINT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0023664

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 9.780 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$SPLASH: splash10-08fr-0290000000-010a81798dcf5efcbb5e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  100 74 74
  105 20 20
  106 16 16
  107 20 20
  133 133 133
  134 165 165
  135 16 16
  162 27 27
  177 188 188
  178 39 39
  183 12 12
  185 24 24
  212 243 243
  213 999 999
  214 86 86
  215 47 47
  226 24 24
  230 12 12
  241 47 47
  253 43 43
  256 670 670
  257 59 59
  258 35 35
  329 12 12
//

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