MassBank Record: WA001590



 Carisoprodol; LC-ESI-Q; MS; POS; 15 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001590
RECORD_TITLE: Carisoprodol; LC-ESI-Q; MS; POS; 15 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$NAME: Carisoprodol CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H24N2O4 CH$EXACT_MASS: 260.17361 CH$SMILES: CCCC(C)(COC(N)=O)COC(=O)NC(C)C CH$IUPAC: InChI=1S/C12H24N2O4/c1-5-6-12(4,7-17-10(13)15)8-18-11(16)14-9(2)3/h9H,5-8H2,1-4H3,(H2,13,15)(H,14,16) CH$LINK: CAS 78-44-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 15.620 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 15 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-03di-0390000000-93566ed46f27033e63e6 PK$NUM_PEAK: 15 PK$PEAK: m/z int. rel.int. 158 98 98 159 8 8 176 419 419 177 35 35 200 59 59 261 999 999 262 125 125 263 16 16 278 82 82 279 12 12 283 55 55 284 8 8 299 59 59 300 8 8 306 20 20 //