ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003682
RECORD_TITLE: 2-HYDROXYMETHYL-2-METHYLPROPANE-1,3-DIOL 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$NAME: 2-HYDROXYMETHYL-2-METHYLPROPANE-1,3-DIOL TRIMETHYL ETHER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H18O3
CH$EXACT_MASS: 162.12559
CH$SMILES: COCC(C)(COC)COC
CH$IUPAC: InChI=1S/C8H18O3/c1-8(5-9-2,6-10-3)7-11-4/h5-7H2,1-4H3
CH$LINK: INCHIKEY PTOOVEFBMMTMJP-UHFFFAOYSA-N
AC$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$SPLASH: splash10-004j-9000000000-51ce9bb2cf79322781a3
PK$NUM_PEAK: 52
PK$PEAK: m/z int. rel.int.
  39 5.4 54
  41 13.6 136
  42 2 20
  43 0.41 4
  44 2.4 24
  45 94.3 943
  46 2.4 24
  47 0.22 2
  51 0.2 2
  52 0.1 1
  53 2.6 26
  54 0.21 2
  55 23 230
  56 3.1 31
  57 1.9 19
  58 0.19 2
  59 2.2 22
  60 0.1 1
  65 0.2 2
  66 0.01 0
  67 2.3 23
  68 0.7 7
  69 2.1 21
  70 0.07 1
  71 41.7 417
  72 8.5 85
  73 0.7 7
  74 0.01 0
  75 99.99 999
  76 3.5 35
  77 1 10
  81 0.01 0
  82 0.1 1
  83 3.7 37
  84 0.8 8
  85 4.69 47
  86 12.4 124
  87 2.4 24
  88 0.2 2
  89 0.01 0
  97 0.4 4
  98 3.3 33
  99 2.3 23
  100 0.02 0
  101 3 30
  102 0.1 1
  115 0.6 6
  116 0.01 0
  117 0.1 1
  130 0.2 2
  131 0.1 1
  132 0.1 1
//
