MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005958

CYCLOHEXYL ACETATE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005958
RECORD_TITLE: CYCLOHEXYL ACETATE; CI-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$INSTRUMENT: HITACHI M-80
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 100 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS ISOBUTANE

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PK$SPLASH: splash10-001i-9000000000-2a38c930370a401b9e0e
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  79 4.86 49
  80 1.54 15
  81 38.67 387
  82 99.99 999
  83 53.8 538
  85 3.58 36
  99 15.89 159
  100 6.32 63
  143 6.5 65
//