ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003091
RECORD_TITLE: DIOCTYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

CH$NAME: DIOCTYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₂₂H₄₂O₄
CH$EXACT_MASS: 370.30831
CH$SMILES: CCCCCCCCOC(=O)CCCCC(=O)OCCCCCCCC
CH$IUPAC: InChI=1S/C22H42O4/c1-3-5-7-9-11-15-19-25-21(23)17-13-14-18-22(24)26-20-16-12-10-8-6-4-2/h3-20H2,1-2H3
CH$LINK: INCHIKEY NEHDRDVHPTWWFG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2021606

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$SPLASH: splash10-0adi-9400000000-b0ce84ba6259c7a9a71c
PK$NUM_PEAK: 150
PK$PEAK: m/z int. rel.int.
  15 0.9 9
  16 0.4 4
  17 0.1 1
  19 0.01 0
  25 0.1 1
  26 0.8 8
  27 11.9 119
  28 0.85 9
  29 24.6 246
  30 0.8 8
  31 1.6 16
  32 0.08 1
  36 0.1 1
  37 0.3 3
  38 0.4 4
  39 0.71 7
  40 1.8 18
  41 41.1 411
  42 10.4 104
  43 4.36 44
  44 2.7 27
  45 1.4 14
  46 0.1 1
  48 0.01 0
  49 0.1 1
  50 0.4 4
  51 0.6 6
  52 0.04 0
  53 2.8 28
  54 3.1 31
  55 56.3 563
  56 0.21 2
  57 74.8 748
  58 3.7 37
  59 3.8 38
  60 0.08 1
  61 1 10
  62 0.4 4
  63 0.5 5
  65 0.05 1
  66 0.3 3
  67 2.8 28
  68 3.3 33
  69 1.17 12
  70 46.5 465
  71 38.2 382
  72 2.7 27
  73 0.23 2
  74 0.5 5
  75 0.2 2
  76 0.4 4
  77 0.05 1
  78 0.4 4
  79 0.7 7
  80 0.4 4
  81 0.14 1
  82 3.2 32
  83 20 200
  84 13.3 133
  85 0.26 3
  86 0.5 5
  87 6.9 69
  88 0.4 4
  89 0.01 0
  91 0.1 1
  93 0.2 2
  96 2 20
  97 0.23 2
  98 0.9 9
  99 1.1 11
  100 6.1 61
  101 0.98 10
  102 2.9 29
  103 0.4 4
  104 0.5 5
  105 0.03 0
  107 0.1 1
  108 0.1 1
  109 0.2 2
  110 0.07 1
  111 9.4 94
  112 33.1 331
  113 1.6 16
  114 0.17 2
  115 0.3 3
  116 0.1 1
  121 0.1 1
  122 0.01 0
  123 0.1 1
  124 0.1 1
  125 0.2 2
  126 0.04 0
  127 1.2 12
  128 5.1 51
  129 99.99 999
  130 0.72 7
  131 1 10
  132 0.1 1
  139 0.1 1
  140 0.01 0
  141 0.1 1
  142 2.5 25
  143 0.8 8
  144 0.02 0
  145 0.3 3
  146 2.6 26
  147 13.7 137
  148 0.01 0
  149 2.6 26
  150 0.2 2
  154 0.2 2
  155 0.02 0
  156 0.1 1
  157 0.9 9
  158 0.2 2
  160 0.01 0
  161 0.1 1
  167 0.2 2
  169 0.1 1
  172 0.02 0
  173 0.1 1
  183 0.2 2
  185 0.3 3
  186 0.01 0
  199 1.4 14
  200 0.2 2
  201 0.1 1
  205 0.01 0
  211 0.2 2
  212 2 20
  213 0.3 3
  214 0.06 1
  215 0.1 1
  223 0.2 2
  225 0.3 3
  228 0.01 0
  241 10.9 109
  242 1.7 17
  243 0.2 2
  258 0.07 1
  259 5.4 54
  260 0.8 8
  261 0.1 1
  272 0.02 0
  279 0.2 2
  284 0.2 2
  313 0.4 4
  327 0.01 0
  341 0.2 2
  370 0.1 1
//