ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008608
RECORD_TITLE: PARA-ANISALDEHYDE 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$NAME: PARA-ANISALDEHYDE DIETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₁₈O₃
CH$EXACT_MASS: 210.12559
CH$SMILES: CCOC(OCC)c(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C12H18O3/c1-4-14-12(15-5-2)10-6-8-11(13-3)9-7-10/h6-9,12H,4-5H2,1-3H3
CH$LINK: INCHIKEY FTTLMNXOYOVHAG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7051896

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$SPLASH: splash10-014r-3900000000-583a2a2090f1339e40c5
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 5.22 52
  29 14.52 145
  31 1.65 17
  39 2.44 24
  47 4.1 41
  51 2.79 28
  63 1.9 19
  64 1.96 20
  65 3.63 36
  66 3.08 31
  75 1.91 19
  77 16.15 162
  78 2.36 24
  79 2.21 22
  91 1.33 13
  92 3.62 36
  93 1.27 13
  94 7.4 74
  105 1.17 12
  107 1.95 20
  108 1.01 10
  109 19.72 197
  110 1.48 15
  121 2.04 20
  122 1.15 12
  135 15.24 152
  136 3.31 33
  137 60.83 608
  138 4.65 47
  153 1.12 11
  165 99.99 999
  166 10.17 102
  210 3.66 37
//