ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001723
RECORD_TITLE: UNDECANEDIOIC ACID DIMETHYL ESTER; 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$NAME: UNDECANEDIOIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₄O₄
CH$EXACT_MASS: 244.16746
CH$SMILES: COC(=O)CCCCCCCCCC(=O)OC
CH$IUPAC: InChI=1S/C13H24O4/c1-16-12(14)10-8-6-4-3-5-7-9-11-13(15)17-2/h3-11H2,1-2H3
CH$LINK: INCHIKEY LADJFIHHYMBJHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90196587

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$SPLASH: splash10-006t-9500000000-0680c2a7d81baef3684f
PK$NUM_PEAK: 90
PK$PEAK: m/z int. rel.int.
  4 2.32 23
  18 1.91 19
  41 2.24 22
  43 24.42 244
  44 1.41 14
  55 22.98 230
  56 1.86 19
  57 6.92 69
  59 9.14 91
  67 3.37 34
  68 2.77 28
  69 32.84 328
  70 3.99 40
  71 2.24 22
  73 4.4 44
  74 65.19 652
  75 3.67 37
  79 2.18 22
  80 1.59 16
  81 7.32 73
  82 3.4 34
  83 16.44 164
  84 64.2 642
  85 5.98 60
  87 21.48 215
  88 2.36 24
  93 2.67 27
  94 3.87 39
  95 6.14 61
  96 9.1 91
  97 31.94 319
  98 99.99 999
  99 8.66 87
  100 0.62 6
  101 6.19 62
  107 0.89 9
  108 1.55 16
  109 2.88 29
  110 6.12 61
  111 15.26 153
  112 23.54 235
  113 7.47 75
  114 1.06 11
  115 5.63 56
  116 0.48 5
  120 3.51 35
  121 11.41 114
  122 1.11 11
  123 2.63 26
  124 4.34 43
  125 3.63 36
  126 1.29 13
  127 0.69 7
  128 2.47 25
  129 6.61 66
  130 0.89 9
  133 0.67 7
  134 2.19 22
  135 7.1 71
  136 2.51 25
  137 2.07 21
  138 7.37 74
  139 61.02 610
  140 6.06 61
  141 1.2 12
  142 0.6 6
  143 0.91 9
  144 0.49 5
  151 1.44 14
  152 22.61 226
  153 8.45 85
  154 0.74 7
  156 0.82 8
  158 2.26 23
  162 2.12 21
  163 1.16 12
  168 0.32 3
  169 0.45 5
  170 1.47 15
  171 34.71 347
  172 4.62 46
  179 0.43 4
  180 7.14 71
  181 2.23 22
  184 1.33 13
  185 0.68 7
  194 0.3 3
  212 2.03 20
  213 28.94 289
  214 3.81 38
//