ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003387
RECORD_TITLE: DIISOBUTYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

CH$NAME: DIISOBUTYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₄H₂₆O₄
CH$EXACT_MASS: 258.18311
CH$SMILES: CC(C)COC(=O)CCCCC(=O)OCC(C)C
CH$IUPAC: InChI=1S/C14H26O4/c1-11(2)9-17-13(15)7-5-6-8-14(16)18-10-12(3)4/h11-12H,5-10H2,1-4H3
CH$LINK: INCHIKEY RDOFJDLLWVCMRU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9036690

AC$INSTRUMENT: JEOL JMS-01-SG-2
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 75 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a6r-7910000000-aa974e196ed237172f4b
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  43 18.9 189
  44 8.7 87
  45 6.3 63
  53 4.8 48
  54 35.4 354
  55 43.6 436
  56 54.8 548
  57 0.38 4
  58 7.2 72
  59 8.7 87
  60 4.8 48
  67 0.38 4
  68 3.3 33
  69 6.7 67
  70 8.2 82
  71 0.58 6
  73 7.7 77
  74 3.8 38
  81 5.3 53
  82 0.43 4
  83 16 160
  84 6.7 67
  85 4.8 48
  87 2.23 22
  88 4.3 43
  95 3.8 38
  97 5.3 53
  98 0.24 2
  99 2.9 29
  100 14.5 145
  101 18.9 189
  102 0.53 5
  103 2.9 29
  105 2.9 29
  109 3.3 33
  110 0.29 3
  111 44.1 441
  112 6.7 67
  113 3.3 33
  114 0.38 4
  115 4.8 48
  128 6.3 63
  129 99.99 999
  130 0.77 8
  131 2.4 24
  142 5.3 53
  143 22.8 228
  144 0.38 4
  147 4.3 43
  149 6.7 67
  156 17.4 174
  157 0.58 6
  158 5.3 53
  171 8.2 82
  184 4.8 48
  185 9.9 99
  186 12.1 121
  187 4.3 43
  203 11.6 116
  217 0.24 2
  218 3.8 38
  219 6.7 67
  239 4.3 43
  241 0.33 3
  258 5.8 58
  259 4.3 43
  265 2.9 29
  316 2.9 29
//