ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010879
RECORD_TITLE: DIOCTYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-05dl-9500000000-e865ecdd92cd0e7f08ed
PK$NUM_PEAK: 43
PK$PEAK: m/z int. rel.int.
  27 4.7 47
  29 14.4 144
  39 3 30
  41 29.1 291
  42 5.9 59
  43 32.9 329
  53 1.4 14
  54 1.7 17
  55 35.2 352
  56 14.4 144
  57 60.9 609
  58 2.4 24
  59 2.4 24
  67 1.5 15
  68 1.9 19
  70 40.5 405
  71 34.6 346
  72 1.8 18
  73 1.5 15
  82 2.2 22
  83 16 160
  84 11.3 113
  85 1.5 15
  87 5.5 55
  97 1.2 12
  100 4.5 45
  101 10.5 105
  102 2.7 27
  111 12.3 123
  112 31.2 312
  113 15.7 157
  114 1.2 12
  128 3.9 39
  129 99.99 999
  130 6.2 62
  142 1.8 18
  146 2.1 21
  147 17.3 173
  148 1.1 11
  199 1.1 11
  212 1.3 13
  241 5.9 59
  259 3.3 33
//