ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006773
RECORD_TITLE: ETHYLENE GLYCOL BIS(PROPIONITRILE) ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: ETHYLENE GLYCOL BIS(PROPIONITRILE) ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₂N₂O₂
CH$EXACT_MASS: 168.08988
CH$SMILES: N#CCCOCCOCCC#N
CH$IUPAC: InChI=1S/C8H12N2O2/c9-3-1-5-11-7-8-12-6-2-4-10/h1-2,5-8H2
CH$LINK: INCHIKEY VTHRQKSLPFJQHN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0044656

AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0ue9-9000000000-8e7dde93da89b12df68d
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  26 3.4 34
  27 11.9 119
  28 11.22 112
  29 7.14 71
  31 18.03 180
  32 2.38 24
  39 1.02 10
  40 2.38 24
  41 4.08 41
  42 2.04 20
  43 5.78 58
  44 3.4 34
  45 22.79 228
  46 1.02 10
  51 1.36 14
  52 2.38 24
  53 1.36 14
  54 99.99 999
  55 10.2 102
  56 1.7 17
  57 2.38 24
  58 1.02 10
  66 1.02 10
  68 2.72 27
  70 1.7 17
  71 1.02 10
  72 2.04 20
  84 42.52 425
  85 7.14 71
  97 10.54 105
  98 14.29 143
  99 3.74 37
  128 2.04 20
  138 2.04 20
  141 6.8 68
  142 1.02 10
//