MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007594

1-ETHYLCYCLOHEXYL 3-OXOBUTANOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007594
RECORD_TITLE: 1-ETHYLCYCLOHEXYL 3-OXOBUTANOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAKEUCHI T, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: 1-ETHYLCYCLOHEXYL 3-OXOBUTANOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₂H₂₀O₃
CH$EXACT_MASS: 212.14124
CH$SMILES: CC(=O)CC(=O)OC(CC)(C1)CCCC1
CH$IUPAC: InChI=1S/C12H20O3/c1-3-12(7-5-4-6-8-12)15-11(14)9-10(2)13/h3-9H2,1-2H3
CH$LINK: INCHIKEY AOJQJEGJPJOEOG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30340764

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AC$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0017-9000000000-2d44f91747bb20217e17
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  27 17.62 176
  29 26.09 261
  41 24.57 246
  43 92.61 926
  55 18.49 185
  57 29.14 291
  69 35.88 359
  72 18.49 185
  81 82.61 826
  85 90.87 909
  99 99.99 999
  100 14.14 141
  110 15.88 159
  111 13.27 133
  128 8.27 83
  142 4.36 44
//