ACCESSION: MSBNK-Waters-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: CC BY-NC

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$LINK: CAS 125-33-7
CH$LINK: INCHIKEY DQMZLTXERSFNPB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7023510

AC$INSTRUMENT: ZQ, Waters
AC$INSTRUMENT_TYPE: LC-ESI-Q
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$CHROMATOGRAPHY: RETENTION_TIME 11.800 min
AC$CHROMATOGRAPHY: COLUMN_NAME 2.1 mm id - 3. 5{mu}m XTerra C18MS
AC$CHROMATOGRAPHY: COLUMN_TEMPERATURE 35 C
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
//