MassBank Record: WA000590



 Thiopental; LC-ESI-Q; MS; NEG; 45 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000590
RECORD_TITLE: Thiopental; LC-ESI-Q; MS; NEG; 45 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$NAME: Thiopental CH$COMPOUND_CLASS: N/A CH$FORMULA: C11H18N2O2S CH$EXACT_MASS: 242.10890 CH$SMILES: CCCC(C)C(CC)(C(=O)1)C(=O)NC(=S)N1 CH$IUPAC: InChI=1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16) CH$LINK: CAS 76-75-5
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 16.520 min AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE 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 45 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0006-0490000000-63f9d940ad416b5a74fc PK$NUM_PEAK: 21 PK$PEAK: m/z int. rel.int. 100 24 24 101 396 396 102 12 12 103 20 20 117 16 16 127 12 12 137 59 59 138 31 31 155 16 16 161 8 8 181 47 47 182 16 16 184 8 8 198 12 12 213 8 8 224 8 8 225 55 55 241 999 999 242 110 110 243 51 51 257 78 78 //