MassBank Record: WA002151



 TiaprideMet; LC-ESI-Q; MS; POS; 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA002151
RECORD_TITLE: TiaprideMet; 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: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: TiaprideMet CH$COMPOUND_CLASS: N/A CH$FORMULA: C14H22N2O4S CH$EXACT_MASS: 314.13003 CH$SMILES: CCN(CC)CCNC(=O)c(c(O)1)cc(cc1)S(C)(=O)=O CH$IUPAC: InChI=1S/C14H22N2O4S/c1-4-16(5-2)9-8-15-14(18)12-10-11(21(3,19)20)6-7-13(12)17/h6-7,10,17H,4-5,8-9H2,1-3H3,(H,15,18)
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 10.300 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C AC$MASS_SPECTROMETRY: IONIZATION ESI AC$CHROMATOGRAPHY: SAMPLING_CONE 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0007-0950000000-70a584344c8ca7054512 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 100 309 309 101 20 20 117 27 27 119 12 12 120 118 118 121 12 12 125 20 20 163 396 396 164 31 31 199 944 944 200 55 55 201 51 51 240 12 12 242 999 999 243 71 71 244 59 59 315 31 31 //