ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008655
RECORD_TITLE: ACETALDEHYDE DIHEXYL 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$NAME: ACETALDEHYDE DIHEXYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₃₀O₂
CH$EXACT_MASS: 230.22458
CH$SMILES: CCCCCCOC(C)OCCCCCC
CH$IUPAC: InChI=1S/C14H30O2/c1-4-6-8-10-12-15-14(3)16-13-11-9-7-5-2/h14H,4-13H2,1-3H3
CH$LINK: INCHIKEY VSFOOCQEJQKBSO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2063842

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$SPLASH: splash10-002o-9200000000-09f4b144ce6965a79fa2
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 9 90
  28 2.34 23
  29 15.59 156
  31 2.09 21
  39 3.59 36
  40 1.06 11
  41 24.25 243
  42 9.25 93
  43 83.64 836
  44 2.71 27
  45 17.7 177
  53 1.03 10
  55 10.85 109
  56 8.68 87
  57 12.67 127
  58 1.09 11
  69 2.09 21
  71 1.79 18
  83 1 10
  85 99.99 999
  86 6.7 67
  111 1.06 11
  129 63.06 631
  130 4.25 43
  131 2.94 29
  215 8.01 80
//