ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005437
RECORD_TITLE: 3,5-BIS(METHOXYCARBONYLMETHYL)CYCLOPENTENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: HIRAMA M, TOHOKU UNIV. FACULTY OF SCIENCE DEPT. OF CHEMISTRY YUKIBUNSEKI
LICENSE: CC BY-NC-SA
CH$NAME: 3,5-BIS(METHOXYCARBONYLMETHYL)CYCLOPENTENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C11H16O4
CH$EXACT_MASS: 212.10486
CH$SMILES: COC(=O)CC(C=1)CC(C1)CC(=O)OC
CH$IUPAC: InChI=1S/C11H16O4/c1-14-10(12)6-8-3-4-9(5-8)7-11(13)15-2/h3-4,8-9H,5-7H2,1-2H3
CH$LINK: INCHIKEY OPAILMNPWHPKFF-UHFFFAOYSA-N
AC$INSTRUMENT: HITACHI M-52
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 14 eV
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-000i-2900000000-2d85557e4eae5d43d03c
PK$NUM_PEAK: 34
PK$PEAK: m/z int. rel.int.
  18 17.8 178
  58 9.3 93
  66 59.5 595
  67 1.59 16
  74 6 60
  78 29.4 294
  79 13 130
  92 3 30
  107 22.5 225
  108 7 70
  113 22.5 225
  114 0.97 10
  119 12 120
  120 9 90
  121 6 60
  122 0.78 8
  129 8.8 88
  131 6 60
  138 70 700
  139 99.99 999
  140 14.6 146
  145 66 660
  146 12.9 129
  151 3.67 37
  152 79.5 795
  159 14.6 146
  166 11.9 119
  178 1.36 14
  179 28.6 286
  180 43.7 437
  181 20.8 208
  182 1.15 12
  210 12.5 125
  212 11.9 119
//
