MassBank Record: PB000534



 1-methoxyindole-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: PB000534
RECORD_TITLE: 1-methoxyindole-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: 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$MASS_SPECTROMETRY: COLLISION_ENERGY 55 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_M/Z 176.07115 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-9400000000-e6d639428c5314b4e1c2 PK$NUM_PEAK: 5 PK$PEAK: m/z int. rel.int. 77.039 1087.384 107 89.038 10000.000 999 90.046 2777.229 276 104.050 4822.129 481 116.050 1548.918 153 //