ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003818
RECORD_TITLE: MEPHENYTOIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: MEPHENYTOIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₄N₂O₂
CH$EXACT_MASS: 218.10553
CH$SMILES: CCC(N1)(c(c2)cccc2)C(=O)N(C)C(=O)1
CH$IUPAC: InChI=1S/C12H14N2O2/c1-3-12(9-7-5-4-6-8-9)10(15)14(2)11(16)13-12/h4-8H,3H2,1-2H3,(H,13,16)
CH$LINK: INCHIKEY GMHKMTDVRCWUDX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9023257

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0f79-2900000000-af8712fc36e2b911e9a8
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  50 2.9 29
  51 9.9 99
  52 1.9 19
  53 0.02 0
  54 1.4 14
  55 0.4 4
  56 3.9 39
  75 0.14 1
  76 3.9 39
  77 22.9 229
  78 2.9 29
  89 0.14 1
  90 0.4 4
  91 4.4 44
  102 0.9 9
  103 0.59 6
  104 86 860
  105 8.9 89
  116 3.9 39
  117 0.09 1
  118 3.4 34
  119 1.9 19
  132 5.4 54
  133 0.09 1
  160 1.4 14
  161 0.9 9
  189 99.99 999
  190 1.24 12
  191 0.9 9
  203 1.9 19
  218 5.4 54
  219 0.9 9
//