MassBank Record: WA001057



 Meprobamate; LC-ESI-Q; MS; POS; 30 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA001057
RECORD_TITLE: Meprobamate; LC-ESI-Q; MS; POS; 30 V
DATE: 2016.01.19 (Created 2007.08.01, modified 2012.05.21)
AUTHORS: Nihon Waters K.K.
LICENSE: Copyright 2007-2011 Nihon Waters K.K.

CH$NAME: Meprobamate CH$COMPOUND_CLASS: N/A CH$FORMULA: C9H18N2O4 CH$EXACT_MASS: 218.12666 CH$SMILES: CCCC(C)(COC(N)=O)COC(N)=O CH$IUPAC: InChI=1S/C9H18N2O4/c1-3-4-9(2,5-14-7(10)12)6-15-8(11)13/h3-6H2,1-2H3,(H2,10,12)(H2,11,13) CH$LINK: CAS 57-53-4
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 12.950 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 30 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-0a4i-0920000000-20405904a03b382e7d35 PK$ANNOTATION: m/z type 219 [M+H]+ 241 [M+Na]+ 257 [M+K]+ PK$NUM_PEAK: 9 PK$PEAK: m/z int. rel.int. 115 47 47 158 999 999 159 74 74 176 8 8 184 8 8 219 74 74 241 188 188 242 12 12 257 20 20 //