ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP010323
RECORD_TITLE: CIS-CYCLOHEXANE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: CIS-CYCLOHEXANE-1,2-DICARBOXYLIC ACID DIMETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₄
CH$EXACT_MASS: 200.10486
CH$SMILES: COC(=O)C([H])(C1)C([H])(CCC1)C(=O)OC
CH$IUPAC: InChI=1S/C10H16O4/c1-13-9(11)7-5-3-4-6-8(7)10(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+
CH$LINK: INCHIKEY AIACXWOETVLBIA-OCAPTIKFSA-N

AC$INSTRUMENT: HITACHI M-80A
AC$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$SPLASH: splash10-001l-9300000000-f924404da596d90971d6
PK$NUM_PEAK: 68
PK$PEAK: m/z int. rel.int.
  15 42.13 421
  26 3 30
  27 20.16 202
  29 12.6 126
  30 3.58 36
  31 8.35 84
  33 2.5 25
  38 1.37 14
  39 26.65 267
  40 4.06 41
  41 31.33 313
  42 3.08 31
  43 11.81 118
  45 5.72 57
  50 1.85 19
  51 5.51 55
  52 3.52 35
  53 20.15 202
  54 17.79 178
  55 13.2 132
  56 1.26 13
  57 1.08 11
  58 2.08 21
  59 33.59 336
  60 1.01 10
  61 1.15 12
  65 3.8 38
  66 6.49 65
  67 24.76 248
  68 4.99 50
  69 4.03 40
  71 3.39 34
  74 3.46 35
  77 8.51 85
  78 1.81 18
  79 20.64 206
  80 42.5 425
  81 99.99 999
  82 11.79 118
  83 1.44 14
  85 1.95 20
  87 4.83 48
  94 1.17 12
  95 1.2 12
  97 1.68 17
  98 1.53 15
  99 2.02 20
  100 4.14 41
  101 3.19 32
  107 1.47 15
  108 33.06 331
  109 16.86 169
  110 1.66 17
  111 6.33 63
  112 2.1 21
  113 5.45 55
  114 2.11 21
  125 3.52 35
  126 3.95 40
  127 1.5 15
  136 1.83 18
  139 1.09 11
  140 56.92 569
  141 8.34 83
  142 1.01 10
  168 19.82 198
  169 19.38 194
  170 2.09 21
//