MassBank Record: WA000657



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

ACCESSION: WA000657
RECORD_TITLE: Primidone; LC-ESI-Q; MS; POS; 30 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$NAME: Primidone CH$COMPOUND_CLASS: N/A CH$FORMULA: C12H14N2O2 CH$EXACT_MASS: 218.10553 CH$SMILES: CCC(C(=O)2)(C(=O)NCN2)c(c1)cccc1 CH$IUPAC: InChI=1S/C12H14N2O2/c1-2-12(9-6-4-3-5-7-9)10(15)13-8-14-11(12)16/h3-7H,2,8H2,1H3,(H,13,15)(H,14,16) CH$LINK: CAS 125-33-7
AC$INSTRUMENT: ZQ, Waters AC$INSTRUMENT_TYPE: LC-ESI-Q AC$CHROMATOGRAPHY: RETENTION_TIME 11.800 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: splash10-02t9-0980000000-0bb3c8c6edff743eb28e PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 100 24 24 104 27 27 105 12 12 106 24 24 109 8 8 119 94 94 128 12 12 134 12 12 141 12 12 150 20 20 152 12 12 155 24 24 162 725 725 163 43 43 172 12 12 173 12 12 174 98 98 177 16 16 184 8 8 185 8 8 190 51 51 191 12 12 208 16 16 211 8 8 219 999 999 220 110 110 236 27 27 237 8 8 257 24 24 260 20 20 //