MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP008941

CYCLOHEXANONE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP008941
RECORD_TITLE: CYCLOHEXANONE; 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$NAME: CYCLOHEXANONE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4m-9000000000-cc5c0d1047cc29ad4505
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 3.2 32
  28 4.4 44
  29 3.9 39
  39 0.25 3
  40 3 30
  41 21.9 219
  42 62.2 622
  43 1.4 14
  54 8.6 86
  55 99.99 999
  56 11.5 115
  57 0.21 2
  69 36.5 365
  70 26.4 264
  71 2.1 21
  80 0.78 8
  83 12.2 122
  97 3.3 33
  98 56.8 568
  99 3.8 38
//