ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008672
RECORD_TITLE: 2-PHENYLPROPANAL ETHYLENE GLYCOL ACETAL; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
LICENSE: CC BY-NC-SA
CH$NAME: 2-PHENYLPROPANAL ETHYLENE GLYCOL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H14O2
CH$EXACT_MASS: 178.09938
CH$SMILES: CC(c(c2)cccc2)C(O1)OCC1
CH$IUPAC: InChI=1S/C11H14O2/c1-9(11-12-7-8-13-11)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
CH$LINK: COMPTOX DTXSID10863380
CH$LINK: INCHIKEY SATZAQAJSHXNSJ-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:97785
AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-00di-9100000000-a0eb98b64abb483fd18b
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  27 3.05 31
  29 1.76 18
  39 1.75 18
  43 1.23 12
  45 18.68 187
  51 3.49 35
  65 1.01 10
  73 99.99 999
  74 3.74 37
  77 6.66 67
  78 1.85 19
  79 2.83 28
  91 3.07 31
  103 3 30
  104 1.34 13
  105 9.67 97
  117 1.3 13
  118 1.35 14
//
