ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003695
RECORD_TITLE: ISOPROPYL ISOPROPOXYACETATE; 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$NAME: ISOPROPYL ISOPROPOXYACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆O₃
CH$EXACT_MASS: 160.10994
CH$SMILES: CC(C)OCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C8H16O3/c1-6(2)10-5-8(9)11-7(3)4/h6-7H,5H2,1-4H3
CH$LINK: INCHIKEY IPIPONKOIUEBFX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30337018

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$SPLASH: splash10-0006-9000000000-d678020d5970d1f2b68c
PK$NUM_PEAK: 70
PK$PEAK: m/z int. rel.int.
  14 0.3 3
  15 1.9 19
  16 0.1 1
  17 0.01 0
  18 0.4 4
  19 0.3 3
  26 0.6 6
  27 1.06 11
  28 4.6 46
  29 6.7 67
  30 0.4 4
  31 1.58 16
  32 1 10
  33 0.3 3
  36 0.1 1
  37 0.01 0
  38 0.2 2
  39 3.4 34
  40 0.9 9
  41 1.64 16
  42 6 60
  43 99.99 999
  44 3.4 34
  45 2.09 21
  46 0.4 4
  47 0.2 2
  49 0.7 7
  51 0.12 1
  55 1.7 17
  56 0.2 2
  57 0.7 7
  58 0.07 1
  59 31 310
  60 20.1 201
  61 3.1 31
  62 0.02 0
  65 0.5 5
  69 0.2 2
  70 0.3 3
  71 0.02 0
  72 0.2 2
  73 31.9 319
  74 1.3 13
  75 0.52 5
  76 0.3 3
  77 1.7 17
  78 0.1 1
  79 0.06 1
  83 0.1 1
  85 0.1 1
  86 0.1 1
  87 0.08 1
  88 2 20
  89 0.8 8
  90 0.1 1
  95 0.02 0
  100 0.1 1
  101 0.2 2
  102 11.8 118
  103 0.85 9
  104 0.5 5
  105 0.1 1
  117 1.7 17
  118 0.02 0
  121 0.7 7
  122 0.1 1
  123 0.2 2
  129 0.01 0
  131 0.3 3
  145 0.1 1
//