ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003687
RECORD_TITLE: PENTAERYTHRO-TRIMETHYL ETHER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: PENTAERYTHRO-TRIMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₈O₄
CH$EXACT_MASS: 178.12051
CH$SMILES: COCC(CO)(COC)COC
CH$IUPAC: InChI=1S/C8H18O4/c1-10-5-8(4-9,6-11-2)7-12-3/h9H,4-7H2,1-3H3
CH$LINK: INCHIKEY RNDZFNZUJTYGES-UHFFFAOYSA-N

AC$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0092-9000000000-30b19c8d30068aaeace9
PK$NUM_PEAK: 47
PK$PEAK: m/z int. rel.int.
  39 9.7 97
  41 29.5 295
  42 5.8 58
  43 0.97 10
  45 99.99 999
  46 2.7 27
  47 2 20
  53 0.37 4
  54 7.2 72
  55 27 270
  56 5.6 56
  57 0.71 7
  58 8.9 89
  59 5.8 58
  60 1.2 12
  61 0.81 8
  67 0.9 9
  68 1.5 15
  69 12.3 123
  70 0.51 5
  71 51.1 511
  72 3.8 38
  73 1.4 14
  74 0.06 1
  75 81.6 816
  76 3.2 32
  77 1.4 14
  81 0.11 1
  82 5.1 51
  83 6.4 64
  84 17.3 173
  85 2.52 25
  86 11 110
  87 4.9 49
  88 1.8 18
  97 0.19 2
  98 2.2 22
  99 3.9 39
  100 0.9 9
  101 0.2 2
  102 3.2 32
  113 1.4 14
  114 16.8 168
  115 0.46 5
  116 2 20
  128 4.7 47
  129 0.8 8
//