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MassBank Record: MSBNK-IPB_Halle-PB000491

N-Acetylindole; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-IPB_Halle-PB000491
RECORD_TITLE: N-Acetylindole; LC-ESI-QTOF; MS2; CE:15 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$MASS_SPECTROMETRY: COLLISION_ENERGY 15 eV
AC$MASS_SPECTROMETRY: IONIZATION ESI

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-03xr-0900000000-c2d97716a4c6a6a4cb6e
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  43.019 520.875 51
  118.067 7753.247 774
  160.076 10000.000 999
//

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