ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007986
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$SPLASH: splash10-0udi-2190000000-50174e33af92b04d1a6e
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  31 1.96 20
  42 61.85 619
  106 1.96 20
  128 2.75 28
  141 1.86 19
  142 2.78 28
  144 1.15 12
  147 3.08 31
  156 1.01 10
  174 5.28 53
  175 8.56 86
  179 4.02 40
  182 1.43 14
  192 2.75 28
  193 1.11 11
  194 3.56 36
  206 1.27 13
  207 1.1 11
  208 2.28 23
  209 6.1 61
  210 2.11 21
  220 1.08 11
  221 11.42 114
  222 2.82 28
  223 1.59 16
  224 7.22 72
  225 1.88 19
  234 1.02 10
  235 2.07 21
  236 3.44 34
  237 2.99 30
  238 1.02 10
  250 1.43 14
  251 99.99 999
  252 49.85 499
  253 9.22 92
  254 3.69 37
  264 3.88 39
  265 3.97 40
  266 13.3 133
  267 3.86 39
  268 3.58 36
  279 1.49 15
  280 4.08 41
  281 1.41 14
  282 1.2 12
  287 5.07 51
  288 1.11 11
  289 1.84 18
  294 1.54 15
//