ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003683
RECORD_TITLE: 2-HYDROXYMETHYL-2-METHYLPROPANE-1,3DIOL DIMETHYL ETHER MONOACETATE; 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$NAME: 2-HYDROXYMETHYL-2-METHYLPROPANE-1,3DIOL DIMETHYL ETHER MONOACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H18O4
CH$EXACT_MASS: 190.12051
CH$SMILES: COCC(C)(COC)COC(C)=O
CH$IUPAC: InChI=1S/C9H18O4/c1-8(10)13-7-9(2,5-11-3)6-12-4/h5-7H2,1-4H3
CH$LINK: INCHIKEY HIBCUKYWRFTDQF-UHFFFAOYSA-N
AC$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$SPLASH: splash10-002e-9000000000-59eac0c6409e7edca1ef
PK$NUM_PEAK: 44
PK$PEAK: m/z int. rel.int.
  39 5.9 59
  41 14 140
  42 3.8 38
  43 99.99 999
  45 93.3 933
  46 2 20
  47 0.9 9
  53 0.27 3
  54 4.8 48
  55 25.2 252
  56 4.8 48
  57 0.43 4
  58 4.3 43
  59 3.2 32
  61 1.8 18
  67 0.41 4
  68 1.4 14
  69 4.7 47
  70 2.1 21
  71 4.54 45
  72 46.3 463
  73 4.3 43
  75 93.1 931
  76 0.28 3
  77 0.7 7
  83 12.1 121
  84 8.6 86
  85 9.01 90
  86 22.8 228
  87 2.8 28
  98 40.7 407
  99 0.07 1
  100 0.8 8
  101 3 30
  102 0.8 8
  103 1.14 11
  104 0.5 5
  105 0.9 9
  113 0.8 8
  114 0.41 4
  115 1.8 18
  116 1.1 11
  117 0.6 6
  130 0.6 6
//
