MassBank Record: PB000499



 3-Acetylindole; LC-ESI-QTOF; MS2; CE:50 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000499
RECORD_TITLE: 3-Acetylindole; LC-ESI-QTOF; MS2; CE:50 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 50 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0006-9000000000-991d9cd176478f62e26a PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 43.019 10000.000 999 51.022 12.304 0 63.025 29.491 1 65.041 517.753 50 77.039 20.898 1 89.039 282.997 27 90.048 361.314 35 91.056 2582.712 257 115.055 34.374 2 116.050 18.554 0 117.060 581.813 57 118.069 286.317 27 //