ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008243
RECORD_TITLE: DIMETHYL DODECANEDIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: UBE SCIENTIFIC ANALYSIS LABORATORY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL DODECANEDIOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₄
CH$EXACT_MASS: 258.18311
CH$SMILES: COC(=O)CCCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C14H26O4/c1-17-13(15)11-9-7-5-3-4-6-8-10-12-14(16)18-2/h3-12H2,1-2H3
CH$LINK: CAS 1731-79-9
CH$LINK: INCHIKEY IZMOTZDBVPMOFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0074390

AC$INSTRUMENT: HITACHI M-60
AC$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$SPLASH: splash10-0avm-9200000000-91cca37c2a8c1c55dab9
PK$NUM_PEAK: 120
PK$PEAK: m/z int. rel.int.
  15 41.91 419
  27 13.17 132
  28 7.23 72
  29 25.87 259
  30 1.09 11
  31 3.28 33
  36 1.19 12
  39 10.96 110
  40 2.73 27
  41 61.17 612
  42 15.49 155
  43 69.61 696
  44 3.08 31
  45 6.22 62
  53 4.8 48
  54 5.86 59
  55 92.78 928
  56 9.42 94
  57 17.46 175
  58 1.8 18
  59 48.27 483
  60 1.89 19
  61 0.75 8
  62 1.42 14
  66 1.05 11
  67 11.91 119
  68 7.45 75
  69 63.45 635
  70 9.25 93
  71 4.71 47
  72 0.93 9
  73 8.56 86
  74 99.99 999
  75 6.83 68
  76 1.12 11
  77 1.16 12
  78 0.86 9
  79 4.59 46
  80 3.96 40
  81 13.47 135
  82 6.31 63
  83 40.29 403
  84 68.41 684
  85 4.42 44
  86 1.61 16
  87 37.26 373
  88 4.37 44
  91 1.28 13
  92 0.8 8
  93 5.2 52
  94 3.5 35
  95 8.27 83
  96 8.66 87
  97 26.03 260
  98 96.14 961
  99 5.32 53
  100 1.31 13
  101 6.59 66
  106 1.12 11
  107 3.76 38
  108 3.07 31
  109 6.17 62
  110 5.02 50
  111 18.34 183
  112 36.77 368
  113 4.26 43
  114 1.92 19
  115 5.3 53
  116 1.28 13
  119 4.76 48
  120 1.14 11
  121 1.83 18
  122 2.13 21
  123 4.49 45
  124 3.95 40
  125 8.24 82
  126 7.14 71
  127 7.32 73
  128 1.99 20
  129 3.89 39
  130 2.08 21
  131 0.99 10
  132 0.84 8
  133 1.56 16
  134 3.1 31
  135 14.63 146
  136 2.24 22
  137 2.23 22
  138 4.34 43
  139 2.92 29
  140 1.79 18
  141 1.4 14
  142 2.72 27
  143 5.07 51
  144 1.27 13
  147 2.09 21
  148 2.45 25
  149 5.7 57
  150 2.3 23
  151 2.35 24
  152 8.35 84
  153 35.25 353
  154 4.06 41
  165 1.21 12
  166 8.64 86
  167 5.36 54
  170 2.89 29
  172 2.34 23
  175 0.95 10
  176 1.02 10
  184 2.22 22
  185 40.99 410
  186 4.42 44
  194 7.04 70
  195 2.31 23
  198 1.3 13
  226 1.39 14
  227 31.67 317
  228 4.47 45
  259 0.26 3
//