ACCESSION: MSBNK-Waters-WA000656
RECORD_TITLE: Primidone; LC-ESI-Q; MS; POS; 45 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 45 V

MS$DATA_PROCESSING: FIND_PEAK ignore rel.int. < 5

PK$SPLASH: splash10-02t9-0910000000-60a1c89c218c76fb381f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  100 47 47
  103 31 31
  106 278 278
  111 24 24
  114 12 12
  117 153 153
  119 776 776
  120 24 24
  128 8 8
  132 24 24
  134 74 74
  135 8 8
  137 8 8
  143 16 16
  145 55 55
  146 8 8
  148 8 8
  149 20 20
  152 8 8
  158 12 12
  159 8 8
  162 999 999
  163 106 106
  167 8 8
  174 43 43
  177 16 16
  190 20 20
  198 12 12
  203 20 20
  215 8 8
  219 184 184
  220 16 16
  221 12 12
  236 24 24
  241 8 8
  251 8 8
  252 8 8
  257 78 78
//