ACCESSION: MSBNK-Waters-WA002157
RECORD_TITLE: Tiapride; LC-ESI-Q; MS; POS; 90 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 90 V

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

PK$SPLASH: splash10-03e9-0950000000-788ea58433936693e0ea
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  100 27 27
  104 82 82
  105 125 125
  106 90 90
  107 90 90
  109 43 43
  110 12 12
  117 12 12
  118 12 12
  119 16 16
  122 24 24
  123 16 16
  133 345 345
  134 693 693
  135 55 55
  148 16 16
  155 24 24
  162 141 141
  163 12 12
  173 20 20
  177 384 384
  178 125 125
  183 39 39
  185 35 35
  212 110 110
  213 999 999
  214 82 82
  215 51 51
  226 31 31
  241 31 31
  253 24 24
  256 149 149
  257 12 12
//