MassBank Record: PB000508



 3-Formylindole; LC-ESI-QTOF; MS2; CE:35 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000508
RECORD_TITLE: 3-Formylindole; LC-ESI-QTOF; MS2; CE:35 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: 274
COMMENT: CONFIDENCE: confident structure

CH$NAME: 3-Formylindole CH$NAME: 1H-indole-3-carbaldehyde CH$COMPOUND_CLASS: Natural Product; Indole CH$FORMULA: C9H7NO CH$EXACT_MASS: 145.05276 CH$SMILES: C1=CC=C2C(=C1)C(=CN2)C=O CH$IUPAC: InChI=1S/C9H7NO/c11-6-7-5-10-9-4-2-1-3-8(7)9/h1-6,10H CH$LINK: INCHIKEY OLNJUISKUQQNIM-UHFFFAOYSA-N CH$LINK: KEGG C08493 CH$LINK: PUBCHEM CID:10256
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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00kf-9400000000-74dbc81ab5e686655977 PK$NUM_PEAK: 8 PK$PEAK: m/z int. rel.int. 65.040 532.151 52 89.041 58.929 4 90.047 301.802 29 91.056 10000.000 999 116.052 38.131 2 117.059 2676.633 266 118.069 2617.369 260 145.049 39.472 2 //