MassBank Record: PB000505



 5-methoxyindole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:60 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000505
RECORD_TITLE: 5-methoxyindole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:60 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$MASS_SPECTROMETRY: COLLISION_ENERGY 60 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0fb9-9600000000-5d3ebbee65af98271928 PK$NUM_PEAK: 27 PK$PEAK: m/z int. rel.int. 39.021 62.355 5 50.015 159.751 14 51.023 693.356 68 52.031 871.592 86 53.037 57.113 4 63.023 791.027 78 64.030 125.814 11 65.039 819.998 80 75.022 41.938 3 76.029 171.063 16 77.037 3168.524 315 78.043 3947.412 393 79.041 2988.908 297 80.045 65.390 5 89.038 2761.285 275 90.045 1752.842 174 91.053 472.354 46 95.048 337.435 32 96.043 170.511 16 102.035 49.663 3 104.050 10000.000 999 105.056 1867.620 185 106.048 73.667 6 116.051 176.857 16 117.058 949.950 93 132.043 227.348 21 133.050 122.779 11 //