ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003876
RECORD_TITLE: 3-ETHYL-5-PHENYL-IMIDAZOLIDINE-2,4-DIONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: 3-ETHYL-5-PHENYL-IMIDAZOLIDINE-2,4-DIONE
CH$NAME: ETHOTOIN
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$INSTRUMENT: Unknown
AC$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$SPLASH: splash10-0udi-6980000000-86b5edde33787fa5b3d5
PK$NUM_PEAK: 69
PK$PEAK: m/z int. rel.int.
  38 0.7 7
  39 2.7 27
  40 0.6 6
  41 0.09 1
  42 1.5 15
  43 1.7 17
  44 3.5 35
  45 0.06 1
  49 0.1 1
  50 2.7 27
  51 8 80
  52 0.29 3
  53 0.8 8
  54 0.1 1
  55 0.8 8
  56 0.25 3
  57 1.3 13
  61 0.1 1
  62 0.8 8
  63 0.26 3
  64 1.2 12
  65 0.6 6
  66 0.3 3
  67 0.01 0
  69 0.4 4
  70 5.5 55
  71 1.1 11
  72 1.35 14
  73 0.9 9
  74 0.7 7
  75 1 10
  76 0.23 2
  77 19.4 194
  78 12 120
  79 1.9 19
  88 0.03 0
  89 3.9 39
  90 3.5 35
  91 3 30
  92 0.06 1
  102 0.4 4
  103 2.9 29
  104 71.9 719
  105 0.95 10
  106 8.5 85
  107 0.9 9
  117 0.3 3
  118 0.39 4
  119 0.9 9
  131 0.1 1
  132 8.9 89
  133 2.34 23
  134 2.5 25
  135 0.1 1
  146 0.6 6
  147 0.11 1
  148 0.3 3
  149 0.6 6
  161 4.9 49
  162 0.08 1
  175 1.9 19
  176 3.9 39
  177 0.6 6
  189 0.01 0
  190 0.4 4
  203 0.3 3
  204 99.99 999
  205 1.31 13
  206 1.7 17
//