ACCESSION: MSBNK-IPB_Halle-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$LINK: PUBCHEM CID:8655
CH$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$MASS_SPECTROMETRY: COLLISION_ENERGY 25 eV
AC$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
//