MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP001845

CYCLOHEXANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001845
RECORD_TITLE: CYCLOHEXANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: CYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₁₂
CH$EXACT_MASS: 84.09390
CH$SMILES: C(C1)CCCC1
CH$IUPAC: InChI=1S/C6H12/c1-2-4-6-5-3-1/h1-6H2
CH$LINK: INCHIKEY XDTMQSROBMDMFD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4021923

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AC$INSTRUMENT: HITACHI RMU-7M
AC$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$SPLASH: splash10-0a4l-9000000000-c9adeb7bca08187b71b6
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 11.09 111
  28 12.66 127
  29 6.65 67
  39 15.52 155
  40 3.6 36
  41 54.16 542
  42 24.12 241
  43 10.54 105
  44 1.85 19
  53 2.59 26
  54 4.16 42
  55 32.07 321
  56 99.99 999
  57 3.42 34
  67 1.85 19
  69 25.79 258
  83 2.96 30
  84 62.66 627
  85 3.05 31
//