ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM CID:8655
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 35 eV
AC$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
//