ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009088
RECORD_TITLE: ACETALDEHYDE DIPENTYL 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$NAME: ACETALDEHYDE DIPENTYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₆O₂
CH$EXACT_MASS: 202.19328
CH$SMILES: CCCCCOC(C)OCCCCC
CH$IUPAC: InChI=1S/C12H26O2/c1-4-6-8-10-13-12(3)14-11-9-7-5-2/h12H,4-11H2,1-3H3
CH$LINK: INCHIKEY MIAGHUUTGZIIJW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9065318

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$SPLASH: splash10-00r6-9200000000-3abe379da7e0a05f5b20
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 13.58 136
  29 20.76 208
  31 6.61 66
  39 7.49 75
  41 26.14 261
  42 19.66 197
  43 79.32 793
  44 4.72 47
  45 31.54 315
  53 1.15 12
  55 17.08 171
  56 1.92 19
  57 2.1 21
  58 1.13 11
  61 1.23 12
  69 1.91 19
  70 9.04 90
  71 99.99 999
  72 5.76 58
  97 2.24 22
  99 4.02 40
  115 66.29 663
  116 5.39 54
  117 3.48 35
  187 8.62 86
//