MassBank Record: PB000528



 4-methoxy-1H-indole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:25 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000528
RECORD_TITLE: 4-methoxy-1H-indole-3-carbaldehyde; LC-ESI-QTOF; MS2; CE:25 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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 176.07115 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-03di-0900000000-020c099165a8fbd1056c PK$NUM_PEAK: 10 PK$PEAK: m/z int. rel.int. 117.058 446.648 43 120.082 564.882 55 130.064 323.126 31 133.051 2679.445 266 146.060 1108.614 109 148.075 3087.905 307 160.039 1550.709 154 161.047 10000.000 999 174.054 496.144 48 176.070 2268.341 225 //