ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006037
RECORD_TITLE: DIMETHYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HASHIMOTO K, KYOTO COLLEGE OF PHARMACY
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$LINK: COMPTOX DTXSID8025096
CH$LINK: INCHIKEY UDSFAEKRVUSQDD-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12329

AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-08fu-6900000000-b48f5dd13c2361fa456d
PK$NUM_PEAK: 41
PK$PEAK: m/z int. rel.int.
  15 2.2 22
  29 2.52 25
  41 6.86 69
  42 2.51 25
  43 16 160
  45 1.33 13
  54 4.72 47
  55 36.15 362
  56 2.8 28
  57 2.19 22
  59 63.26 633
  60 1.49 15
  68 3.11 31
  69 6.92 69
  71 2.92 29
  72 8.94 89
  73 22.06 221
  74 41.39 414
  75 1.63 16
  82 9.33 93
  83 18.26 183
  84 2.19 22
  86 1 10
  87 13.24 132
  88 3.75 38
  97 4.68 47
  99 2.91 29
  100 3.32 33
  101 76.18 762
  102 4.03 40
  110 3.61 36
  111 66.57 666
  112 4.7 47
  113 2.95 30
  114 99.99 999
  115 18.86 189
  116 1.55 16
  142 20.26 203
  143 69.21 692
  144 5.93 59
  145 1 10
//