MassBank Record: PB000494



 N-Acetylindole; LC-ESI-QTOF; MS2; CE:45 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: 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$LINK: PUBCHEM CID:68470
AC$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 //