MassBank Record: PB000501



 5-methoxyindole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:20 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000501
RECORD_TITLE: 5-methoxyindole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:20 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: 273
COMMENT: CONFIDENCE: confident structure

CH$NAME: 5-methoxyindole-3-carbaldehyde CH$COMPOUND_CLASS: Natural Product; indole CH$FORMULA: C10H9NO2 CH$EXACT_MASS: 175.06333 CH$SMILES: COC1=CC2=C(C=C1)NC=C2C=O CH$IUPAC: InChI=1S/C10H9NO2/c1-13-8-2-3-10-9(4-8)7(6-12)5-11-10/h2-6,11H,1H3 CH$LINK: INCHIKEY TUWARWGEOHQXCO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:82758
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$MASS_SPECTROMETRY: COLLISION_ENERGY 20 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0002-0900000000-49d68fcd16bd0cadd4ac PK$NUM_PEAK: 14 PK$PEAK: m/z int. rel.int. 105.058 36.093 2 116.050 153.425 14 117.058 519.952 50 118.065 74.092 6 121.064 43.478 3 133.051 2921.620 291 134.058 82.549 7 144.044 212.984 20 147.067 78.976 6 148.075 10000.000 999 149.077 95.533 8 161.048 41.453 3 176.070 3147.350 313 177.077 36.093 2 //