MassBank Record: PB000619



 Syringaldehyde; LC-ESI-QTOF; MS2; CE:15 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000619
RECORD_TITLE: Syringaldehyde; LC-ESI-QTOF; MS2; CE:15 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: 303
COMMENT: CONFIDENCE: confident structure

CH$NAME: Syringaldehyde CH$NAME: 4-hydroxy-3,5-dimethoxybenzaldehyde CH$COMPOUND_CLASS: Natural Product; Benzaldehyde CH$FORMULA: C9H10O4 CH$EXACT_MASS: 182.05791 CH$SMILES: COC1=CC(=CC(=C1O)OC)C=O CH$IUPAC: InChI=1S/C9H10O4/c1-12-7-3-6(5-10)4-8(13-2)9(7)11/h3-5,11H,1-2H3 CH$LINK: INCHIKEY KCDXJAYRVLXPFO-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:8655
AC$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 15 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-05gi-0900000000-ec8dfff58a288a3a2202 PK$NUM_PEAK: 7 PK$PEAK: m/z int. rel.int. 77.042 262.446 25 95.053 1409.957 139 123.047 10000.000 999 140.050 1604.794 159 155.073 9511.985 950 182.061 137.677 12 183.072 7807.622 779 //