ACCESSION: MSBNK-Waters-WA002160
RECORD_TITLE: Tiapride; 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$NAME: Tiapride
CH$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 45 V

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

PK$SPLASH: splash10-0a4i-0093000000-8ac41785857c5e036d58
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  100 24 24
  178 16 16
  213 16 16
  256 999 999
  257 86 86
  258 59 59
  329 415 415
  330 67 67
  331 24 24
//