ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011324
RECORD_TITLE: TRIETHYL ORTHOACETATE; 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$NAME: TRIETHYL ORTHOACETATE
CH$NAME: 1,1,1-TRIETHOXYETHANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₃
CH$EXACT_MASS: 162.12559
CH$SMILES: CCOC(C)(OCC)OCC
CH$IUPAC: InChI=1S/C8H18O3/c1-5-9-8(4,10-6-2)11-7-3/h5-7H2,1-4H3
CH$LINK: CAS 78-39-7
CH$LINK: INCHIKEY NDQXKKFRNOPRDW-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4058815

AC$INSTRUMENT: HITACHI M-2500
AC$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$SPLASH: splash10-0036-9000000000-f6aed8ac583cfc4cef19
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  13 2.71 27
  14 9.8 98
  15 26.61 266
  17 4.33 43
  18 13.25 133
  19 3.08 31
  25 2.38 24
  26 15.29 153
  27 47.58 476
  28 11.36 114
  29 43.99 440
  30 6.4 64
  31 83.66 837
  32 1.85 19
  39 1 10
  41 2.95 30
  42 37.1 371
  43 99.99 999
  44 4.28 43
  45 47.79 478
  46 13.03 130
  60 28.3 283
  61 17.38 174
  70 6.44 64
  72 1.1 11
  73 3.9 39
  87 1.64 16
  88 3.44 34
  89 4.58 46
  105 1.07 11
  116 10.46 105
  117 2.35 24
//