ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008607
RECORD_TITLE: PHENYLACETALDEHYDE DIETHYL 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$NAME: PHENYLACETALDEHYDE DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₂
CH$EXACT_MASS: 194.13068
CH$SMILES: CCOC(OCC)Cc(c1)cccc1
CH$IUPAC: InChI=1S/C12H18O2/c1-3-13-12(14-4-2)10-11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
CH$LINK: INCHIKEY FYERTDTXGGOMGT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2052314

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$SPLASH: splash10-0f95-9500000000-2d490d3461d03d9fd6fe
PK$NUM_PEAK: 39
PK$PEAK: m/z int. rel.int.
  19 1.27 13
  26 1.02 10
  27 6.71 67
  29 19.23 192
  31 2.12 21
  39 4.75 48
  41 2.19 22
  43 1.89 19
  44 1.29 13
  45 2.3 23
  47 87.72 877
  48 1.1 11
  50 1.13 11
  51 3.96 40
  52 1.07 11
  63 2.81 28
  64 1.05 11
  65 11.88 119
  75 52.36 524
  76 2 20
  77 6.16 62
  78 1.89 19
  79 2.58 26
  89 2.47 25
  90 1.66 17
  91 53.13 531
  92 6.55 66
  93 1.61 16
  103 99.99 999
  104 5.49 55
  105 1.52 15
  119 1.45 15
  120 2.69 27
  121 23.81 238
  122 1.88 19
  131 3.61 36
  148 2.17 22
  149 15.06 151
  150 1.55 16
//