ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006040
RECORD_TITLE: DIMETHYL SEBACATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

CH$NAME: DIMETHYL SEBACATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₄
CH$EXACT_MASS: 230.15181
CH$SMILES: COC(=O)CCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C12H22O4/c1-15-11(13)9-7-5-3-4-6-8-10-12(14)16-2/h3-10H2,1-2H3
CH$LINK: INCHIKEY ALOUNLDAKADEEB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1026740

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052b-8900000000-770d12143c2379e3fb76
PK$NUM_PEAK: 84
PK$PEAK: m/z int. rel.int.
  40 1.29 13
  41 3.94 39
  43 17.59 176
  45 1.97 20
  55 38.33 383
  56 3.41 34
  57 3.89 39
  59 11.99 120
  67 5.97 60
  68 4.6 46
  69 22.42 224
  70 2.82 28
  71 1.55 16
  73 6.9 69
  74 92.61 926
  75 6.61 66
  79 2.24 22
  80 3.49 35
  81 8.03 80
  82 5.07 51
  83 36.62 366
  84 72.04 720
  85 6.11 61
  87 36.62 366
  88 3.39 34
  93 2.74 27
  94 4.49 45
  95 6.43 64
  96 12.84 128
  97 53.22 532
  98 99.99 999
  99 7.12 71
  100 2.04 20
  101 10.95 110
  102 1.42 14
  104 1.46 15
  106 2.23 22
  107 5.29 53
  109 3.83 38
  110 9.31 93
  111 13.35 134
  112 10.29 103
  113 3.64 36
  114 3.2 32
  115 13.09 131
  116 1.89 19
  119 1.48 15
  120 3.71 37
  121 12.84 128
  122 2.37 24
  123 3.54 35
  124 12.52 125
  125 90.49 905
  126 7.17 72
  127 2.35 24
  128 1.96 20
  129 1.86 19
  130 1.51 15
  137 4.11 41
  138 56.82 568
  139 18.4 184
  140 2.53 25
  142 3.37 34
  143 1 10
  144 8.37 84
  147 1.24 12
  148 8.47 85
  149 2.69 27
  154 2 20
  155 1.36 14
  156 5.22 52
  157 83.67 837
  158 8.29 83
  165 1.77 18
  166 54.15 542
  167 8.16 82
  170 8.59 86
  171 1.16 12
  180 1.32 13
  198 9.84 98
  199 79.79 798
  200 10.49 105
  201 1.79 18
  230 0.04 0
//