ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001736
RECORD_TITLE: UNDECANEDIOIC ACID DIBUTYL 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$NAME: UNDECANEDIOIC ACID DIBUTYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C19H36O4
CH$EXACT_MASS: 328.26136
CH$SMILES: CCCCOC(=O)CCCCCCCCCC(=O)OCCCC
CH$IUPAC: InChI=1S/C19H36O4/c1-3-5-16-22-18(20)14-12-10-8-7-9-11-13-15-19(21)23-17-6-4-2/h3-17H2,1-2H3
CH$LINK: INCHIKEY MSFKNLZQTPJTLY-UHFFFAOYSA-N
AC$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$SPLASH: splash10-0007-5930000000-05e92c924dde03b1cfe1
PK$NUM_PEAK: 107
PK$PEAK: m/z int. rel.int.
  29 2.97 30
  41 5.04 50
  43 5.01 50
  55 6.13 61
  56 42.86 429
  57 22.38 224
  58 0.98 10
  60 8.76 88
  61 4.57 46
  67 1.28 13
  68 0.48 5
  69 5.75 58
  70 0.82 8
  71 1.27 13
  73 6.66 67
  80 0.71 7
  81 3.13 31
  82 1.87 19
  83 9.69 97
  84 14.08 141
  85 1.56 16
  87 4.24 42
  88 0.31 3
  93 0.63 6
  94 1.08 11
  95 2.55 26
  96 4.52 45
  97 18.47 185
  98 31.82 318
  99 2.77 28
  100 0.38 4
  101 11.07 111
  102 1.07 11
  103 2.73 27
  104 0.41 4
  107 1.46 15
  109 4.05 41
  110 2.56 26
  111 5.58 56
  112 3.27 33
  113 0.54 5
  114 0.63 6
  115 3.15 32
  116 3.31 33
  117 1.17 12
  119 0.95 10
  120 1.15 12
  121 8.42 84
  122 1.42 14
  123 2.13 21
  124 5.3 53
  125 32.84 328
  126 2.59 26
  127 0.36 4
  128 0.25 3
  129 6.2 62
  130 2.57 26
  131 0.97 10
  137 1.88 19
  138 16.84 168
  139 17.59 176
  140 2.69 27
  141 1.7 17
  142 7.83 78
  143 33.6 336
  144 3.09 31
  145 0.2 2
  147 0.21 2
  148 3.31 33
  149 1.84 18
  150 0.2 2
  151 0.4 4
  152 1.22 12
  153 0.37 4
  155 0.61 6
  156 1.3 13
  157 8.89 89
  158 2.62 26
  159 0.77 8
  165 1.14 11
  166 18.68 187
  167 5.73 57
  168 1.24 12
  169 1.15 12
  171 1.94 19
  172 0.47 5
  183 0.58 6
  184 1.1 11
  185 62.61 626
  186 9.97 100
  187 1.06 11
  198 1.95 20
  199 26.22 262
  200 3.51 35
  201 0.12 1
  212 3.23 32
  213 0.84 8
  214 5.31 53
  215 0.7 7
  227 3.01 30
  228 0.35 4
  240 2.34 23
  241 99.99 999
  242 15.51 155
  243 1.77 18
  259 1.4 14
  315 0.87 9
//
