ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007980
RECORD_TITLE: PHENYTOIN; CI-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: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 200 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0udi-1390000000-22c71a7e4dbf9c7acab5
PK$NUM_PEAK: 57
PK$PEAK: m/z int. rel.int.
  55 5.62 56
  56 2.91 29
  57 6.98 70
  61 4.91 49
  69 2.6 26
  71 1.73 17
  75 1.39 14
  79 6.25 63
  87 1.07 11
  89 1.18 12
  91 3.09 31
  93 1.36 14
  97 1.54 15
  101 2.86 29
  104 4.2 42
  105 1.73 17
  107 1.73 17
  113 1.36 14
  115 3.91 39
  119 1.23 12
  127 1.05 11
  129 3.88 39
  132 1.18 12
  143 1.94 19
  157 1.26 13
  167 2.67 27
  175 22.16 222
  176 2.73 27
  177 2.88 29
  180 1.2 12
  181 1.07 11
  182 3.25 33
  189 1.47 15
  191 2.83 28
  195 1.1 11
  205 1.26 13
  209 2.94 29
  210 3.23 32
  212 2.25 23
  223 1.12 11
  225 2.94 29
  237 1.28 13
  238 1.44 14
  252 3.41 34
  253 99.99 999
  254 17.54 175
  255 2.28 23
  267 10.92 109
  268 2.15 22
  269 1.2 12
  281 16.31 163
  282 2.86 29
  283 1.57 16
  285 1.1 11
  293 4.17 42
  294 1.23 12
  295 2.18 22
//