ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP003578
RECORD_TITLE: DIMETHYL ADIPATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$INSTRUMENT: Unknown
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0bt9-9200000000-64a124ca503b64075ea6
PK$NUM_PEAK: 48
PK$PEAK: m/z int. rel.int.
  13 5.59 56
  15 71.05 711
  18 5.32 53
  26 2.88 29
  27 22.23 222
  28 86.66 867
  29 28.63 286
  31 6.14 61
  32 16.77 168
  39 13.26 133
  40 3.58 36
  41 30.33 303
  42 19.3 193
  43 32.82 328
  44 5.71 57
  45 8.3 83
  53 4.39 44
  54 9.25 93
  55 76.13 761
  56 12.01 120
  57 4.6 46
  59 99.99 999
  60 3.69 37
  68 3.43 34
  69 7.33 73
  71 3.98 40
  72 7.18 72
  73 25.78 258
  74 34.75 348
  82 8.86 89
  83 17.28 173
  84 2.79 28
  86 2 20
  87 10.87 109
  88 2.97 30
  97 3.59 36
  99 2.1 21
  100 2.29 23
  101 51.12 511
  102 3.1 31
  110 2.33 23
  111 42.6 426
  112 3.27 33
  114 53.02 530
  115 15.86 159
  142 9.76 98
  143 37.62 376
  144 3.17 32
//