MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001227

1,2-CYCLOHEXYLENE DIACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001227
RECORD_TITLE: 1,2-CYCLOHEXYLENE DIACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SASAKI S, TOYOHASHI UNIV. OF TECH.
LICENSE: CC BY-NC-SA

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CH$NAME: 1,2-CYCLOHEXYLENE DIACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₆O₄
CH$EXACT_MASS: 200.10486
CH$SMILES: CC(=O)OC(C1)C(CCC1)OC(C)=O
CH$IUPAC: InChI=1S/C10H16O4/c1-7(11)13-9-5-3-4-6-10(9)14-8(2)12/h9-10H,3-6H2,1-2H3
CH$LINK: INCHIKEY NSTPWRQTPXJRSP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40938717

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AC$INSTRUMENT: HITACHI RMU-6D
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 15 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-0002-9100000000-a3d00916339fc866fa1a
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  19 13.5 135
  43 17 170
  61 5 50
  69 0.35 4
  78 9 90
  79 1.5 15
  81 4 40
  96 3.15 32
  97 99.99 999
  98 6.5 65
  111 5 50
  114 0.15 2
  115 1.5 15
  141 22 220
  142 2.5 25
  157 0.2 2
  158 2 20
//