MassBank Record: PB000530



 4-methoxy-1H-indole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000530
RECORD_TITLE: 4-methoxy-1H-indole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:55 eV; [M+H]+
DATE: 2016.01.19 (Created 2008.04.18, modified 2013.06.04)
AUTHORS: Boettcher C, Institute of Plant Biochemistry, Halle, Germany
LICENSE: CC BY-SA
COMMENT: IPB_RECORD: 279
COMMENT: CONFIDENCE: structure hypothesis

CH$NAME: 4-methoxy-1H-indole-3-carbaldehyde CH$COMPOUND_CLASS: Natural Product; Indole, Glucosinolate degradation product CH$FORMULA: C10H9NO2 CH$EXACT_MASS: 175.06333 CH$SMILES: COC1=CC=CC2=C1C(=CN2)C=O CH$IUPAC: InChI=1S/C10H9NO2/c1-13-9-4-2-3-8-10(9)7(6-12)5-11-8/h2-6,11H,1H3 CH$LINK: INCHIKEY GDVCEQRAPMIJBG-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:146229
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$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 176.07115 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-0udi-1900000000-9c593231fcc45b70e2db PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 77.038 737.899 72 78.037 722.115 71 89.038 1157.927 114 91.054 316.994 30 103.043 512.539 50 104.050 10000.000 999 105.057 663.802 65 114.034 273.588 26 117.057 584.006 57 131.035 635.742 62 132.043 1043.932 103 160.039 2311.470 230 //