ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001742
RECORD_TITLE: NONANEDIOIC 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$NAME: NONANEDIOIC ACID DIHEXYL ESTER
CH$NAME: DIHEXYL AZELATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₁H₄₀O₄
CH$EXACT_MASS: 356.29266
CH$SMILES: CCCCCCOC(=O)CCCCCCCC(=O)OCCCCCC
CH$IUPAC: InChI=1S/C21H40O4/c1-3-5-7-14-18-24-20(22)16-12-10-9-11-13-17-21(23)25-19-15-8-6-4-2/h3-19H2,1-2H3
CH$LINK: INCHIKEY MJOKHGMXPJXFTG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9047623

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$SPLASH: splash10-0pk9-6930000000-548afc1e8376a593547e
PK$NUM_PEAK: 142
PK$PEAK: m/z int. rel.int.
  27 0.63 6
  29 1.79 18
  37 0.92 9
  41 4.19 42
  42 9.55 96
  43 64.38 644
  44 2.46 25
  54 1.2 12
  55 17 170
  56 31.61 316
  57 13.35 134
  58 0.82 8
  59 0.47 5
  60 3.81 38
  61 12.04 120
  62 0.67 7
  67 2.11 21
  68 2.13 21
  69 15.23 152
  70 1.58 16
  71 0.67 7
  73 8.06 81
  74 1.13 11
  75 1.36 14
  78 7.2 72
  79 0.76 8
  80 0.88 9
  81 2.65 27
  82 6.86 69
  83 23.32 233
  84 51.29 513
  85 25.14 251
  86 1.87 19
  87 6.76 68
  88 0.44 4
  91 9.17 92
  93 1.26 13
  94 0.17 2
  95 1.9 19
  96 9.39 94
  100 1.16 12
  101 6.85 69
  102 1.67 17
  103 0.4 4
  105 0.29 3
  106 0.25 3
  107 3.41 34
  108 1.1 11
  109 4.97 50
  110 4.71 47
  111 25.97 260
  112 2.46 25
  113 0.96 10
  115 24.23 242
  116 4.12 41
  117 2.35 24
  118 0.61 6
  119 2.88 29
  121 0.2 2
  122 0.47 5
  123 4.26 43
  124 14.41 144
  125 32.66 327
  126 7.05 71
  127 3.53 35
  128 2.32 23
  129 58.44 584
  130 5.23 52
  131 0.62 6
  133 0.2 2
  134 0.93 9
  135 2.25 23
  136 1.7 17
  137 2.27 23
  138 0.31 3
  139 0.63 6
  140 0.37 4
  141 1.53 15
  142 2.85 29
  143 8.52 85
  144 9.02 90
  145 4.62 46
  146 0.54 5
  150 0.66 7
  151 2.76 28
  152 67.77 678
  153 15.27 153
  154 3.27 33
  155 1.87 19
  156 0.32 3
  157 2.57 26
  158 0.37 4
  167 0.13 1
  168 0.85 9
  169 1.48 15
  170 4.14 41
  171 99.99 999
  172 17.38 174
  173 2.14 21
  182 1.7 17
  183 0.36 4
  184 0.27 3
  185 0.71 7
  186 0.33 3
  189 0.46 5
  194 0.15 2
  198 0.52 5
  199 0.42 4
  200 2.21 22
  201 0.42 4
  210 0.16 2
  211 0.59 6
  212 2.51 25
  213 35.36 354
  214 5.17 52
  215 0.59 6
  225 0.29 3
  226 4.1 41
  227 1.24 12
  228 8.08 81
  229 1.41 14
  230 0.11 1
  236 0.13 1
  238 3.65 37
  254 8.03 80
  255 97.9 979
  256 24.92 249
  257 3.06 31
  258 0.32 3
  270 0.16 2
  272 0.11 1
  273 4.48 45
  274 0.73 7
  299 0.35 4
  300 0.27 3
  313 0.79 8
  314 0.11 1
  327 0.13 1
  356 0.52 5
  357 7.12 71
  358 1.62 16
  359 0.2 2
//