MassBank Record: PB000622



 Syringaldehyde; LC-ESI-QTOF; MS2; CE:45 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000622
RECORD_TITLE: Syringaldehyde; LC-ESI-QTOF; MS2; CE:45 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 45 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-00or-9000000000-03822b23e64682ed8879 PK$NUM_PEAK: 17 PK$PEAK: m/z int. rel.int. 39.024 479.811 46 41.040 865.011 85 51.026 1142.085 113 52.034 1316.101 130 55.020 974.827 96 65.040 6773.103 676 66.045 304.105 29 67.056 1569.522 155 69.036 248.353 23 77.042 10000.000 999 79.020 317.621 30 80.029 1145.464 113 95.054 2791.012 278 97.034 2949.823 293 105.048 361.548 35 107.016 486.569 47 125.026 1574.590 156 //