ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007973
RECORD_TITLE: PHENYTOIN; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HAMAMATSU UNIV. SCHOOL OF MEDICINE
LICENSE: CC BY-NC-SA

CH$NAME: PHENYTOIN
CH$NAME: DIPHENYLHYDANTOIN
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₁₂N₂O₂
CH$EXACT_MASS: 252.08988
CH$SMILES: O=C(N3)NC(C(=O)3)(c(c2)cccc2)c(c1)cccc1
CH$IUPAC: InChI=1S/C15H12N2O2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)
CH$LINK: INCHIKEY CXOFVDLJLONNDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8020541

AC$INSTRUMENT: JEOL JMS-D-300
AC$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$SPLASH: splash10-0zgi-5960000000-e1dcb47a1c082f04f456
PK$NUM_PEAK: 54
PK$PEAK: m/z int. rel.int.
  51 9.86 99
  52 23.82 238
  53 5.18 52
  54 1.52 15
  60 1.57 16
  62 1.02 10
  63 2.57 26
  65 2.24 22
  74 2.35 24
  75 2.32 23
  76 13.32 133
  77 62.26 623
  78 17.81 178
  82 16.7 167
  83 8.67 87
  87 1.35 14
  89 1.44 14
  90 10.5 105
  91 1.55 16
  93 3.18 32
  94 1.99 20
  102 2.1 21
  103 6.62 66
  104 66.58 666
  105 11.58 116
  115 1.55 16
  127 1.38 14
  130 2.38 24
  132 1.33 13
  139 2.63 26
  145 1.13 11
  147 10.72 107
  151 1.8 18
  152 4.1 41
  153 1.82 18
  163 2.68 27
  164 4.18 42
  165 27.23 272
  166 5.15 52
  174 1.13 11
  175 5.65 57
  179 2.1 21
  180 99.99 999
  181 26.1 261
  182 5.18 52
  206 1.24 12
  208 21.86 219
  209 54.53 545
  210 9.06 91
  223 49.79 498
  224 8.81 88
  225 1.24 12
  252 52.17 522
  253 10.64 106
//