ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001743
RECORD_TITLE: UNDECANEDIOIC ACID DIHEXYL 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$NAME: UNDECANEDIOIC ACID DIHEXYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₃H₄₄O₄
CH$EXACT_MASS: 384.32396
CH$SMILES: CCCCCCOC(=O)CCCCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C23H44O4/c1-3-5-7-16-20-26-22(24)18-14-12-10-9-11-13-15-19-23(25)27-21-17-8-6-4-2/h3-21H2,1-2H3
CH$LINK: INCHIKEY PPIZSURHTCDRRT-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$SPLASH: splash10-05aj-5940000000-05a65d720a0c9740790a
PK$NUM_PEAK: 122
PK$PEAK: m/z int. rel.int.
  41 1.84 18
  42 6.05 61
  43 29.81 298
  44 1.36 14
  55 9.66 97
  56 23.64 236
  57 20.22 202
  58 0.86 9
  60 2.36 24
  61 11.7 117
  67 1.41 14
  68 2.77 28
  69 14.95 150
  70 8.51 85
  71 11.16 112
  73 6.48 65
  81 2.1 21
  82 6.52 65
  83 18.18 182
  84 38.87 389
  85 14.82 148
  86 0.9 9
  87 4.82 48
  95 1.26 13
  96 3.6 36
  97 12.24 122
  98 29.59 296
  99 2.75 28
  100 0.63 6
  101 7.11 71
  102 1.71 17
  103 3.53 35
  107 1.46 15
  108 0.52 5
  109 1.38 14
  110 4 40
  111 19.62 196
  112 12.77 128
  113 2.35 24
  114 4.35 44
  115 6.26 63
  116 2.41 24
  117 1.54 15
  121 1.15 12
  123 2.62 26
  124 7.59 76
  125 15.74 157
  126 3.97 40
  127 1.5 15
  128 1.43 14
  129 42.73 427
  130 3.45 35
  133 0.26 3
  134 0.91 9
  135 4.07 41
  136 0.91 9
  137 1.3 13
  138 2.4 24
  139 15.45 155
  140 3.73 37
  141 1.17 12
  142 1.91 19
  143 5.14 51
  144 6.23 62
  145 4.16 42
  146 0.26 3
  151 1.78 18
  152 46.83 468
  153 14.88 149
  154 3.19 32
  155 1.82 18
  156 0.45 5
  157 16.46 165
  158 2.12 21
  162 0.45 5
  163 0.32 3
  169 0.56 6
  170 2.34 23
  171 99.99 999
  172 15.29 153
  173 2.37 24
  179 0.42 4
  180 2.97 30
  181 1.5 15
  182 0.19 2
  183 0.39 4
  185 1.83 18
  197 0.53 5
  198 0.65 7
  199 45.39 454
  200 6.52 65
  201 0.56 6
  212 0.77 8
  213 13.57 136
  214 2.07 21
  226 1.99 20
  227 0.92 9
  228 3.93 39
  229 0.7 7
  238 0.77 8
  239 0.36 4
  240 1.76 18
  241 22.71 227
  242 3.79 38
  254 4.03 40
  255 60.25 603
  256 14.47 145
  257 1.97 20
  266 0.91 9
  273 2.73 27
  274 0.25 3
  281 0.12 1
  282 2.93 29
  283 66.14 661
  284 13.18 132
  285 1.72 17
  301 2.49 25
  302 0.24 2
  341 0.29 3
  384 0.23 2
  385 1.74 17
  386 0.24 2
//