MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005894

CYCLOHEXYL ACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005894
RECORD_TITLE: CYCLOHEXYL ACETATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: CYCLOHEXYL ACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₄O₂
CH$EXACT_MASS: 142.09938
CH$SMILES: CC(=O)OC(C1)CCCC1
CH$IUPAC: InChI=1S/C8H14O2/c1-7(9)10-8-5-3-2-4-6-8/h8H,2-6H2,1H3
CH$LINK: INCHIKEY YYLLIJHXUHJATK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6052299

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AC$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-001l-9000000000-8443f1d6b95adb627f0f
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  41 3.2 32
  43 61.84 618
  44 2.26 23
  54 15.41 154
  55 8.18 82
  56 1.32 13
  57 5.45 55
  58 7.42 74
  59 1.5 15
  61 9.4 94
  67 50 500
  68 3.01 30
  71 3.38 34
  72 1.13 11
  81 5.83 58
  82 99.99 999
  83 11.28 113
  99 5.08 51
  100 5.83 58
//