MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002389

CYCLOHEXANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002389
RECORD_TITLE: CYCLOHEXANONE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: CYCLOHEXANONE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₀O
CH$EXACT_MASS: 98.07316
CH$SMILES: O=C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2
CH$LINK: INCHIKEY JHIVVAPYMSGYDF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6020359

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AC$INSTRUMENT: JEOL JMS-D-3000
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-052f-9000000000-e12b443f04b3874cc4a3
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  41 35.18 352
  42 58.45 585
  43 22.89 229
  51 1.49 15
  53 2.61 26
  54 9.11 91
  55 99.99 999
  56 12.47 125
  58 5.56 56
  59 1.96 20
  67 1.49 15
  68 2 20
  69 29.01 290
  70 2 20
  71 2.38 24
  80 4.48 45
  83 9.06 91
  97 2.24 22
  98 30.56 306
  99 2.24 22
//