ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000437
RECORD_TITLE: 3-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$NAME: 3-ACETYLINDOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H9NO
CH$EXACT_MASS: 159.06841
CH$SMILES: CC(=O)C1=CNC2=CC=CC=C21
CH$IUPAC: InChI=1S/C10H9NO/c1-7(12)9-6-11-10-5-3-2-4-8(9)10/h2-6,11H,1H3
CH$LINK: INCHIKEY VUIMBZIZZFSQEE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10220570
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$SPLASH: splash10-0006-5900000000-195a438d220710d23987
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  39 3 30
  41 2.6 26
  43 10.5 105
  44 0.2 2
  45 6.3 63
  55 2.3 23
  57 2.8 28
  60 0.16 2
  62 1.5 15
  63 6.5 65
  69 7 70
  71 0.11 1
  72 1.2 12
  77 2.2 22
  81 1.6 16
  88 0.13 1
  89 18.8 188
  90 1.2 12
  115 2.3 23
  116 1.33 13
  130 2.3 23
  144 99.99 999
  145 7 70
  159 4.37 44
  160 2.1 21
//
