ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011325
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 12 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-029w-9100000000-857781ce2e5283669525
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  18 10.6 106
  28 3.94 39
  29 9.36 94
  30 2.83 28
  31 75 750
  32 4.2 42
  42 6.16 62
  43 83.43 834
  44 3.39 34
  45 99.99 999
  46 42.66 427
  47 1.54 15
  59 1.45 15
  60 43.13 431
  61 52.01 520
  62 1.59 16
  70 21.21 212
  71 1.59 16
  72 3.11 31
  73 11.73 117
  75 1.18 12
  82 1.67 17
  87 10.76 108
  88 11.63 116
  89 26.51 265
  90 1.29 13
  91 1.27 13
  102 1.52 15
  103 1.48 15
  105 2.26 23
  116 86.23 862
  117 7.97 80
  118 1.02 10
  119 1.48 15
  123 1.65 17
  128 1.3 13
  134 4.56 46
//