MassBank Record: PB000504



 5-methoxyindole-3-carbaldehyde; 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: PB000504
RECORD_TITLE: 5-methoxyindole-3-carbaldehyde; 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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 50 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0ufr-5900000000-26df29ec1f047d619ef9 PK$NUM_PEAK: 30 PK$PEAK: m/z int. rel.int. 51.024 123.941 11 52.031 191.383 18 53.039 17.306 0 62.930 25.450 1 63.023 274.095 26 64.027 19.596 0 65.038 627.593 61 66.044 23.668 1 76.030 116.560 10 77.038 1120.556 111 78.045 2755.453 274 79.041 2822.640 281 80.048 62.098 5 89.038 2183.850 217 90.045 1633.370 162 91.053 987.962 97 95.049 142.774 13 96.046 50.391 4 104.050 10000.000 999 105.057 4946.174 493 106.049 218.869 20 115.044 35.121 2 116.049 485.837 47 117.058 2746.291 273 118.063 102.817 9 121.065 242.791 23 132.043 848.752 83 133.050 967.093 95 134.059 80.930 7 144.055 49.882 3 //