MassBank Record: PB000620



 Syringaldehyde; 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: PB000620
RECORD_TITLE: Syringaldehyde; LC-ESI-QTOF; MS2; CE:25 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 25 eV AC$MASS_SPECTROMETRY: IONIZATION ESI
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-002b-9500000000-648b4cea88c99f600180 PK$NUM_PEAK: 12 PK$PEAK: m/z int. rel.int. 55.021 307.203 29 65.040 433.128 42 67.056 1108.420 109 77.041 5668.027 565 93.037 173.666 16 95.054 10000.000 999 105.050 348.717 33 123.047 4430.222 442 125.026 529.302 51 140.052 4073.894 406 155.075 300.284 29 182.060 305.127 29 //