ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009013
RECORD_TITLE: DIMETHYL 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$NAME: DIMETHYL ADIPATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₄
CH$EXACT_MASS: 174.08921
CH$SMILES: COC(=O)CCCCC(=O)OC
CH$IUPAC: InChI=1S/C8H14O4/c1-11-7(9)5-3-4-6-8(10)12-2/h3-6H2,1-2H3
CH$LINK: CAS 627-93-0
CH$LINK: INCHIKEY UDSFAEKRVUSQDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025096

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$SPLASH: splash10-08fu-9700000000-533cdf131d0e41342a94
PK$NUM_PEAK: 50
PK$PEAK: m/z int. rel.int.
  15 4.18 42
  26 1.41 14
  27 7.83 78
  29 9.88 99
  30 1.39 14
  31 5.65 57
  39 8.12 81
  41 22.15 222
  42 13.95 140
  43 24.56 246
  44 1.2 12
  45 5.08 51
  51 1 10
  53 4.17 42
  54 6.94 69
  55 66.47 665
  56 7.72 77
  57 3.61 36
  58 1.4 14
  59 92.4 924
  60 2.87 29
  68 3.63 36
  69 7.49 75
  71 4.2 42
  72 7 70
  73 33.37 334
  74 48.2 482
  75 1.77 18
  81 1.47 15
  82 8 80
  83 25.05 251
  84 2.37 24
  85 1.24 12
  87 16.74 167
  88 3.2 32
  97 4.52 45
  99 2.61 26
  100 2.83 28
  101 79.83 798
  102 3.67 37
  110 3.6 36
  111 72.51 725
  112 4.47 45
  113 2.24 22
  114 99.99 999
  115 23.7 237
  116 1.57 16
  142 17.35 174
  143 70.19 702
  144 4.49 45
//