ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM CID:8655
CH$LINK: COMPTOX DTXSID2059643

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
//