ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009935
RECORD_TITLE: 5-ACETOXY-1-(2,6-DIMETOXYPHENYL)-3-METHYL-2-PENTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KURARAY CO., LTD.
LICENSE: CC BY-NC-SA

CH$NAME: 5-ACETOXY-1-(2,6-DIMETOXYPHENYL)-3-METHYL-2-PENTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₂O₄
CH$EXACT_MASS: 278.15181
CH$SMILES: CC(=O)OCCC(C)=CCc(c(OC)1)c(OC)ccc1
CH$IUPAC: InChI=1S/C16H22O4/c1-12(10-11-20-13(2)17)8-9-14-15(18-3)6-5-7-16(14)19-4/h5-8H,9-11H2,1-4H3/b12-8+
CH$LINK: INCHIKEY GLVUXJCZSHESLV-XYOKQWHBSA-N

AC$INSTRUMENT: JEOL JMS-D-300
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0udl-2930000000-aa73161aa7eb00757946
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  27 3.3 33
  29 1.3 13
  39 4.2 42
  41 0.61 6
  42 0.5 5
  43 51.3 513
  51 3.1 31
  52 0.08 1
  53 3.9 39
  55 7.8 78
  56 0.3 3
  57 0.22 2
  59 0.2 2
  63 0.9 9
  65 4.4 44
  66 0.06 1
  67 4.7 47
  68 0.2 2
  69 2.3 23
  75 0.03 0
  76 1.3 13
  77 10.9 109
  78 3.8 38
  79 0.8 8
  80 1.6 16
  81 3.4 34
  82 0.2 2
  87 0.34 3
  88 0.8 8
  89 2.8 28
  90 1.3 13
  91 2.48 25
  92 3.6 36
  93 3.9 39
  94 1.7 17
  95 0.19 2
  96 0.3 3
  97 0.8 8
  101 1.6 16
  102 0.17 2
  103 5.6 56
  104 1.6 16
  105 8 80
  106 0.2 2
  107 6 60
  108 1.9 19
  109 2 20
  115 0.13 1
  116 3.6 36
  117 3.4 34
  118 2 20
  119 0.19 2
  120 1.4 14
  121 29.5 295
  122 3.4 34
  123 0.34 3
  124 1.6 16
  125 1.4 14
  127 4.5 45
  128 0.77 8
  129 4.1 41
  130 1.4 14
  131 7.7 77
  132 0.23 2
  133 4.1 41
  134 8 80
  135 9.5 95
  136 0.23 2
  137 16.1 161
  138 12.5 125
  139 3.3 33
  140 0.03 0
  141 2 20
  142 0.9 9
  143 1.7 17
  144 0.33 3
  145 6.1 61
  146 3.9 39
  147 7.2 72
  148 0.41 4
  149 48.4 484
  150 5.5 55
  151 34.4 344
  152 0.55 6
  153 1.1 11
  155 1.4 14
  156 0.3 3
  157 0.14 1
  158 3.3 33
  159 6.9 69
  160 13.3 133
  161 3 30
  162 12.3 123
  163 16.4 164
  164 2.5 25
  165 0.53 5
  171 2.8 28
  172 11.7 117
  173 4.7 47
  174 0.28 3
  175 12.3 123
  176 10.8 108
  177 7.2 72
  178 0.13 1
  186 1.9 19
  187 65.2 652
  188 14.8 148
  189 0.98 10
  190 3.1 31
  191 53.3 533
  192 15 150
  193 0.25 3
  203 99.99 999
  204 16.4 164
  205 3 30
  217 0.38 4
  218 51.1 511
  219 16.1 161
  220 0.5 5
  260 0.17 2
  278 6.3 63
  279 0.8 8
//