ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000436
RECORD_TITLE: 2-ACETYLINDOLE; 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$NAME: 2-ACETYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9NO
CH$EXACT_MASS: 159.06841
CH$SMILES: CC(=O)C1=CC2=CC=CC=C2N1
CH$IUPAC: InChI=1S/C10H9NO/c1-7(12)10-6-8-4-2-3-5-9(8)11-10/h2-6,11H,1H3
CH$LINK: INCHIKEY QXJMCSBBTMVSJS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30343331
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$SPLASH: splash10-052o-3900000000-b6a330959a48fa3ff669
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  39 3.4 34
  41 1.1 11
  43 12.1 121
  45 0.27 3
  51 1.2 12
  62 1.7 17
  63 7.8 78
  69 0.13 1
  77 1.8 18
  88 2 20
  89 57 570
  90 0.53 5
  114 1.1 11
  115 3 30
  116 16.5 165
  117 0.33 3
  130 3.2 32
  143 1.2 12
  144 99.99 999
  145 0.83 8
  159 86 860
  160 7.4 74
//
