MassBank Record: PB000621



 Syringaldehyde; LC-ESI-QTOF; MS2; CE:35 eV; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: PB000621
RECORD_TITLE: Syringaldehyde; LC-ESI-QTOF; MS2; CE:35 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 35 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-004i-9100000000-54826f5ed4bf4c650678 PK$NUM_PEAK: 13 PK$PEAK: m/z int. rel.int. 41.040 155.733 14 55.021 632.665 62 65.040 3322.951 331 67.055 1784.115 177 77.041 10000.000 999 80.028 421.452 41 93.037 422.426 41 95.054 5514.892 550 97.034 875.024 86 105.048 496.399 48 123.044 223.866 21 125.026 2120.887 211 140.052 1408.409 139 //