ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007972
RECORD_TITLE: ETHOTOIN; 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$NAME: ETHOTOIN
CH$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: 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$SPLASH: splash10-0zfr-4920000000-137fae4223f8b51dd5cd
PK$NUM_PEAK: 30
PK$PEAK: m/z int. rel.int.
  51 5.48 55
  52 13.51 135
  53 4.68 47
  56 4.64 46
  62 1.13 11
  63 3.31 33
  64 1.15 12
  70 7.97 80
  72 16.79 168
  75 1.28 13
  76 4.68 47
  77 26.83 268
  78 18.16 182
  79 2.53 25
  89 4.74 47
  90 3.45 35
  91 3.42 34
  103 13.3 133
  104 95 950
  105 99.99 999
  106 9.71 97
  118 3.84 38
  133 23.01 230
  134 2.01 20
  161 3.32 33
  175 1.58 16
  176 3.83 38
  202 3.5 35
  204 71.56 716
  205 9.24 92
//