ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001984
RECORD_TITLE: 2-ACETYL-1-METHYLINDOLE; 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$NAME: 2-ACETYL-1-METHYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H11NO
CH$EXACT_MASS: 173.08406
CH$SMILES: CC(=O)c(c1)n(C)c(c2)c(ccc2)1
CH$IUPAC: InChI=1S/C11H11NO/c1-8(13)11-7-9-5-3-4-6-10(9)12(11)2/h3-7H,1-2H3
CH$LINK: INCHIKEY SVUKISNBRDNDMF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40344056
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$SPLASH: splash10-0a4r-5900000000-91bb0be01b1c2bcbe3df
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  39 3.8 38
  43 13 130
  51 3.4 34
  62 0.16 2
  63 7.8 78
  75 1.6 16
  76 1.5 15
  77 0.78 8
  79 1 10
  86.5 1.1 11
  87 1 10
  88 0.22 2
  89 68 680
  96 4.5 45
  101 1.3 13
  102 0.39 4
  103 4.5 45
  114 1.6 16
  115 5.4 54
  128 0.28 3
  129 2.5 25
  130 24.4 244
  131 2.5 25
  144 0.35 4
  158 99.99 999
  159 11.5 115
  172 8.1 81
  173 9.7 97
  174 11.8 118
//
