ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003383
RECORD_TITLE: DIMETHYL 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$NAME: DIMETHYL ADIPATE
CH$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$LINK: INCHIKEY UDSFAEKRVUSQDD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8025096

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$SPLASH: splash10-0kfx-8900000000-55876dab8f079343657f
PK$NUM_PEAK: 38
PK$PEAK: m/z int. rel.int.
  46 8.5 85
  53 6.7 67
  54 62.1 621
  55 8.5 85
  56 3.8 38
  57 2.7 27
  58 77.7 777
  59 0.25 3
  68 3.8 38
  69 8.3 83
  71 6.7 67
  72 0.83 8
  73 33.3 333
  74 45.7 457
  75 2 20
  81 0.24 2
  82 11.5 115
  83 33.6 336
  84 3.3 33
  87 1.21 12
  88 3.6 36
  97 9.2 92
  99 2.4 24
  100 0.39 4
  101 53.8 538
  102 3.8 38
  110 3.2 32
  111 5.53 55
  112 4.1 41
  113 4.1 41
  114 71.2 712
  115 2.52 25
  129 2 20
  142 43.4 434
  143 99.99 999
  144 0.94 9
  175 69.6 696
  176 5.5 55
//