ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008670
RECORD_TITLE: 2-ETHYLHEXANAL ETHYLENE GLYCOL 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$NAME: 2-ETHYLHEXANAL ETHYLENE GLYCOL ACETAL
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H20O2
CH$EXACT_MASS: 172.14633
CH$SMILES: CCCCC(CC)C(O1)OCC1
CH$IUPAC: InChI=1S/C10H20O2/c1-3-5-6-9(4-2)10-11-7-8-12-10/h9-10H,3-8H2,1-2H3
CH$LINK: INCHIKEY LQSZQAHPRJMRET-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80863377
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$SPLASH: splash10-00di-9000000000-09456ce1d0bece760616
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  27 3.73 37
  29 3.68 37
  39 1.72 17
  41 5.87 59
  43 2.61 26
  45 11.65 117
  55 2.92 29
  57 2 20
  70 1.1 11
  73 99.99 999
  74 3.63 36
//
