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MassBank Record: WA002159

Tiapride; LC-ESI-Q; MS; POS; 60 V

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

ACCESSION: WA002159
RECORD_TITLE: Tiapride; LC-ESI-Q; MS; POS; 60 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 60 V

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

PK$SPLASH: splash10-0a4i-0090000000-e2c8c0ee47f8861ae633
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  100 55 55
  177 20 20
  212 82 82
  213 215 215
  214 20 20
  215 12 12
  253 16 16
  256 999 999
  257 86 86
  258 59 59
  329 35 35
//

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