ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009016
RECORD_TITLE: DIISOPROPYL 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$NAME: DIISOPROPYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₂O₄
CH$EXACT_MASS: 230.15181
CH$SMILES: CC(C)OC(=O)CCCCC(=O)OC(C)C
CH$IUPAC: InChI=1S/C12H22O4/c1-9(2)15-11(13)7-5-6-8-12(14)16-10(3)4/h9-10H,5-8H2,1-4H3
CH$LINK: INCHIKEY ZDQWESQEGGJUCH-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5027641

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$SPLASH: splash10-004i-5900000000-94c538c8026f18458559
PK$NUM_PEAK: 37
PK$PEAK: m/z int. rel.int.
  27 4.19 42
  29 1.8 18
  39 4.05 41
  41 16.46 165
  42 6.18 62
  43 37.78 378
  44 1.02 10
  45 9.7 97
  55 20.94 209
  56 3.77 38
  57 1.25 13
  58 1.11 11
  59 8.18 82
  60 6.25 63
  69 2.22 22
  73 10.78 108
  74 1.11 11
  83 10.01 100
  84 3.46 35
  87 16.41 164
  100 25.58 256
  101 17.26 173
  102 13.91 139
  103 1.43 14
  111 21.02 210
  112 2.72 27
  128 17.75 178
  129 99.99 999
  130 6.16 62
  142 9.41 94
  144 2.46 25
  146 2.73 27
  147 1.6 16
  170 2.19 22
  171 29.51 295
  172 2.33 23
  188 2.07 21
//