ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002922
RECORD_TITLE: DIMETHYL DODECANEDIOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: INCHIKEY IZMOTZDBVPMOFE-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0074390
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: splash10-0avm-9200000000-198338cc0ecb35293cea
PK$NUM_PEAK: 87
PK$PEAK: m/z int. rel.int.
  15 41.91 419
  27 13.17 132
  28 7.23 72
  29 25.87 259
  31 3.28 33
  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
  59 48.27 483
  67 11.91 119
  68 7.45 75
  69 63.45 635
  70 9.25 93
  71 4.71 47
  73 8.56 86
  74 99.99 999
  75 6.83 68
  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
  87 37.26 373
  88 4.37 44
  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
  101 6.59 66
  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
  115 5.3 53
  119 4.76 48
  122 2.13 21
  123 4.49 45
  124 3.95 40
  125 8.24 82
  126 7.14 71
  127 7.32 73
  129 3.89 39
  130 2.08 21
  134 3.1 31
  135 14.63 146
  136 2.24 22
  137 2.23 22
  138 4.34 43
  139 2.92 29
  142 2.72 27
  143 5.07 51
  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
  166 8.64 86
  167 5.36 54
  170 2.89 29
  172 2.34 23
  184 2.22 22
  185 40.99 410
  186 4.42 44
  194 7.04 70
  195 2.31 23
  227 31.67 317
  228 4.47 45
//
