ACCESSION: MSBNK-IPB_Halle-PB000494
RECORD_TITLE: N-Acetylindole; LC-ESI-QTOF; MS2; CE:45 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.01.02, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 271
COMMENT: CONFIDENCE confident structure

CH$NAME: N-Acetylindole
CH$NAME: 1-indol-1-ylethanone
CH$COMPOUND_CLASS: Natural Product; indole
CH$FORMULA: C₁₀H₉NO
CH$EXACT_MASS: 159.06841
CH$SMILES: CC(=O)N1C=CC2=CC=CC=C21
CH$IUPAC: InChI=1S/C10H9NO/c1-8(12)11-7-6-9-4-2-3-5-10(9)11/h2-7H,1H3
CH$LINK: INCHIKEY UUCUQJHYUPXDHN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:68470
CH$LINK: COMPTOX DTXSID9060362

AC$INSTRUMENT: API QSTAR Pulsar i
AC$INSTRUMENT_TYPE: LC-ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 45 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9100000000-7940d2df1f150febbc19
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  43.018 4575.224 456
  63.021 20.774 1
  65.040 1041.439 103
  89.040 101.137 9
  90.046 247.649 23
  91.054 10000.000 999
  92.050 25.148 1
  116.050 18.041 0
  117.057 1364.531 135
  118.067 1826.482 181
  144.038 16.401 0
//