MassBank Record: PB000503



 5-methoxyindole-3-carbaldehyde; 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: PB000503
RECORD_TITLE: 5-methoxyindole-3-carbaldehyde; 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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 40 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0api-1900000000-1abf95fd39705a129736 PK$NUM_PEAK: 31 PK$PEAK: m/z int. rel.int. 52.034 23.051 1 62.929 22.428 1 63.021 27.723 1 64.929 26.789 1 65.039 251.378 24 76.030 57.004 4 77.038 437.031 42 78.046 904.900 89 79.041 1500.171 149 80.046 36.757 2 89.038 1339.439 132 90.045 530.168 52 91.053 1274.336 126 93.068 47.659 3 95.048 57.627 4 103.054 34.265 2 104.050 4776.189 476 105.058 10000.000 999 106.052 301.218 29 116.049 1661.527 165 117.058 6151.139 614 118.063 283.774 27 120.081 26.789 1 121.064 1036.352 102 132.043 2015.388 200 133.050 6436.470 642 134.058 462.885 45 144.054 234.558 22 147.067 227.082 21 148.075 215.245 20 160.043 34.888 2 //