ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007297
RECORD_TITLE: 4-METHOXYPHENYLALDEHYDE TRIMETHYLENE ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: ITO S, DEPT. OF CHEM., TOHOKU UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: 4-METHOXYPHENYLALDEHYDE TRIMETHYLENE ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₃
CH$EXACT_MASS: 194.09429
CH$SMILES: COc(c2)ccc(c2)C(O1)OCCC1
CH$IUPAC: InChI=1S/C11H14O3/c1-12-10-5-3-9(4-6-10)11-13-7-2-8-14-11/h3-6,11H,2,7-8H2,1H3
CH$LINK: INCHIKEY DCZOQZICJJOKQT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80278184

AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0006-0900000000-1cd4effd194c3b92182e
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  42 3 30
  108 3.5 35
  135 5.2 52
  136 1.39 14
  137 3.2 32
  152 4 40
  163 13.9 139
  164 0.25 3
  193 69.4 694
  194 99.99 999
  195 12.2 122
//