MassBank Record: WA000655



 Primidone; LC-ESI-Q; MS; POS; 60 V, 75 V 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: WA000655
RECORD_TITLE: Primidone; LC-ESI-Q; MS; POS; 60 V, 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$NAME: Primidone CH$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 60 V, 75 V
MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5
PK$SPLASH: splash10-014i-0910000000-5ad550f1084020b726b3 PK$NUM_PEAK: 71 PK$PEAK: m/z int. rel.int. 100 396 396 102 71 71 105 98 98 106 682 682 107 55 55 109 59 59 110 51 51 111 8 8 115 137 137 116 8 8 117 999 999 118 8 8 119 834 834 120 16 16 122 12 12 123 12 12 125 8 8 126 71 71 129 43 43 131 110 110 132 223 223 133 24 24 134 482 482 135 24 24 137 8 8 138 12 12 143 39 39 144 43 43 145 71 71 146 71 71 147 8 8 149 24 24 150 12 12 154 12 12 157 8 8 158 90 90 161 20 20 162 588 588 163 39 39 168 8 8 171 16 16 172 12 12 174 39 39 176 8 8 181 12 12 185 35 35 190 31 31 194 16 16 203 27 27 208 43 43 209 12 12 210 20 20 211 8 8 212 8 8 214 16 16 216 31 31 219 212 212 220 24 24 221 16 16 234 43 43 235 8 8 236 78 78 238 12 12 241 27 27 247 8 8 249 12 12 252 39 39 255 8 8 257 286 286 258 20 20 259 8 8 //