MassBank Record: PB000502



 5-methoxyindole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:30 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000502
RECORD_TITLE: 5-methoxyindole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:30 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$MASS_SPECTROMETRY: COLLISION_ENERGY 30 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00lr-0900000000-f6bc8aa3893b00980792 PK$NUM_PEAK: 23 PK$PEAK: m/z int. rel.int. 77.038 50.300 4 78.044 28.872 1 79.040 76.085 6 89.038 94.788 8 91.053 235.337 22 93.069 39.041 2 104.049 245.687 23 105.058 2555.112 254 106.060 48.484 3 116.049 1142.183 113 117.058 3964.954 395 118.064 325.586 31 120.081 62.648 5 121.064 712.184 70 132.043 577.629 56 133.051 10000.000 999 134.058 512.076 50 144.054 280.734 27 147.067 445.796 43 148.075 2761.576 275 149.078 34.502 2 161.045 45.760 3 176.071 57.745 4 //