MassBank Record: MSBNK-IPB_Halle-PB000492

N-Acetylindole; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+

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ACCESSION: MSBNK-IPB_Halle-PB000492
RECORD_TITLE: N-Acetylindole; LC-ESI-QTOF; MS2; CE:25 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

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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

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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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

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MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

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PK$SPLASH: splash10-014i-2900000000-35f2ce18194145e05170
PK$NUM_PEAK: 5
PK$PEAK: m/z int. rel.int.
  43.018 2194.123 218
  91.054 461.113 45
  117.058 84.917 7
  118.067 10000.000 999
  160.076 419.468 40
//