ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007985
RECORD_TITLE: ETHOTOIN; 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$NAME: ETHOTOIN
CH$NAME: 3-ETHYL-5-PHENYL-2,4-IMIDAZOLIDINEDIONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₂N₂O₂
CH$EXACT_MASS: 204.08988
CH$SMILES: CCN(C(=O)2)C(=O)C(N2)c(c1)cccc1
CH$IUPAC: InChI=1S/C11H12N2O2/c1-2-13-10(14)9(12-11(13)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,12,15)
CH$LINK: INCHIKEY SZQIFWWUIBRPBZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6023020

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$SPLASH: splash10-0udi-1190000000-56ad3615dcbc3fbecdbc
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  31 4.29 43
  42 28.99 290
  75 1.22 12
  106 1.6 16
  126 5.34 53
  127 1.58 16
  140 2.98 30
  141 1.47 15
  142 1.14 11
  145 2.95 30
  161 1.13 11
  175 3 30
  176 6.1 61
  177 2.2 22
  187 1.19 12
  188 1.27 13
  202 8.52 85
  203 99.99 999
  204 21.17 212
  205 3.8 38
  206 1.16 12
  215 2.76 28
  216 14.74 147
  217 6.24 62
  218 7.31 73
  219 2.12 21
  220 2.4 24
  230 3.24 32
  231 2.45 25
  232 2.91 29
  233 5.96 60
  234 1.22 12
  235 8.3 83
  239 8.38 84
  240 1.33 13
  241 3.14 31
  244 1.21 12
  246 1.22 12
//