ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005427
RECORD_TITLE: 1,1-CYCLOBUTANEDICARBOXYLIC ACID DIETHYL 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$NAME: 1,1-CYCLOBUTANEDICARBOXYLIC ACID DIETHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₄
CH$EXACT_MASS: 200.10486
CH$SMILES: CCOC(=O)C(C1)(CC1)C(=O)OCC
CH$IUPAC: InChI=1S/C10H16O4/c1-3-13-8(11)10(6-5-7-10)9(12)14-4-2/h3-7H2,1-2H3
CH$LINK: INCHIKEY JPNJEJSZSMXWSV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2063189

AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-056s-9500000000-bef643d516455638c737
PK$NUM_PEAK: 60
PK$PEAK: m/z int. rel.int.
  15 1.52 15
  26 4.18 42
  27 26.43 264
  28 12.36 124
  29 79.97 800
  30 1.9 19
  31 2.98 30
  32 1.58 16
  39 8.24 82
  40 1.39 14
  41 7.54 75
  42 2.47 25
  43 12.04 120
  44 1.01 10
  45 10.52 105
  51 1.2 12
  52 1.27 13
  53 21.55 216
  54 20.79 208
  55 27.95 280
  56 5.7 57
  57 2.6 26
  58 1.65 17
  59 1.08 11
  69 3.8 38
  70 1.96 20
  71 4.37 44
  72 4.69 47
  73 3.61 36
  80 4.06 41
  81 28.71 287
  82 28.71 287
  83 19.14 191
  84 1.9 19
  85 6.53 65
  97 1.71 17
  98 9.76 98
  99 99.99 999
  100 30.54 305
  101 2.72 27
  108 54.94 549
  109 5.83 58
  110 5.83 58
  111 4.31 43
  113 10.39 104
  125 2.03 20
  126 19.33 193
  127 35.74 357
  128 14.58 146
  129 1.39 14
  143 1.65 17
  144 1.27 13
  145 1.77 18
  154 24.4 244
  155 52.47 525
  156 4.75 48
  171 2.28 23
  173 6.02 60
  200 4.56 46
  201 4.75 48
//