MassBank Record: PB000532



 1-methoxyindole-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: PB000532
RECORD_TITLE: 1-methoxyindole-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: 280
COMMENT: CONFIDENCE: confident structure

CH$NAME: 1-methoxyindole-3-carbaldehyde CH$COMPOUND_CLASS: Natural Product; Indole, Glucosinolate degradation product CH$FORMULA: C10H9NO2 CH$EXACT_MASS: 175.06333 CH$SMILES: CON1C=C(C2=CC=CC=C21)C=O CH$IUPAC: InChI=1S/C10H9NO2/c1-13-11-6-8(7-12)9-4-2-3-5-10(9)11/h2-7H,1H3 CH$LINK: INCHIKEY NFGIENSPALNOON-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:398554
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$SPLASH: splash10-0159-0900000000-d0356d0c35638bfff423 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 89.038 747.491 73 90.046 415.558 40 91.053 336.025 32 104.050 3418.795 340 105.057 5460.073 545 116.050 5385.051 537 117.057 5728.998 571 118.065 183.515 17 132.044 1039.499 102 133.051 10000.000 999 144.044 2224.740 221 145.052 2832.365 282 148.074 737.523 72 159.031 265.200 25 160.041 332.142 32 161.048 3107.113 309 176.070 443.521 43 //