ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008628
RECORD_TITLE: HEXANAL DIMETHYL 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$NAME: HEXANAL DIMETHYL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₂
CH$EXACT_MASS: 146.13068
CH$SMILES: CCCCCC(OC)OC
CH$IUPAC: InChI=1S/C8H18O2/c1-4-5-6-7-8(9-2)10-3/h8H,4-7H2,1-3H3
CH$LINK: INCHIKEY ZQUJUCJLDXTKKW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6061812

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$SPLASH: splash10-004i-9000000000-418af211949e27265ed4
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  15 4.5 45
  27 8.96 90
  29 10.14 101
  31 7.44 74
  39 5.35 54
  41 14.85 149
  42 1.45 15
  43 5.3 53
  45 18.27 183
  47 11.11 111
  53 1.1 11
  55 13.12 131
  57 1.43 14
  58 7.95 80
  59 1.63 16
  71 11.28 113
  75 99.99 999
  76 3.35 34
  83 8.63 86
  115 11.76 118
//