MassBank Record: PB000498



 3-Acetylindole; LC-ESI-QTOF; MS2; CE:40 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000498
RECORD_TITLE: 3-Acetylindole; LC-ESI-QTOF; MS2; CE:40 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: 272
COMMENT: CONFIDENCE: confident structure

CH$NAME: 3-Acetylindole CH$NAME: 1-(1H-indol-3-yl)ethanone CH$COMPOUND_CLASS: Natural Product; indole CH$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$LINK: PUBCHEM CID:12802
AC$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 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9100000000-bd1e0b33cdd04972d957 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 43.019 10000.000 999 65.041 78.736 6 89.039 35.607 2 90.048 107.155 9 91.056 2456.871 244 115.057 32.263 2 117.060 549.983 53 118.067 1398.696 138 //