ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM CID:8655
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 45 eV
AC$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
//