ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000448
RECORD_TITLE: 2-ACETYL-1-TRIDEUTEROMETHYLINDOLE; 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$NAME: 2-ACETYL-1-TRIDEUTEROMETHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11NO
CH$EXACT_MASS: 173.08406
CH$SMILES: CC(=O)c(c1)n(C([2H])([2H])[2H])c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C11H11NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h3-7H,1-2H3/i2D3
CH$LINK: INCHIKEY SVUKISNBRDNDMF-BMSJAHLVSA-N
AC$INSTRUMENT: MX-1303
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 50 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-03g0-5900000000-6521df59f67e52686a54
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  39 2.7 27
  43 8.5 85
  51 1.2 12
  62 0.17 2
  63 6.1 61
  77 1.1 11
  78 1.8 18
  79 0.12 1
  88 3.1 31
  89 99.9 999
  90 3.8 38
  104 0.1 1
  105 1 10
  114 1.1 11
  115 2.6 26
  131 0.11 1
  132 3 30
  133 6.5 65
  147 1.6 16
  160 0.71 7
  161 99.99 999
  162 4.6 46
  174 17.7 177
  175 1.11 11
  176 86.5 865
  177 4.6 46
//
