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MassBank Record: JP006890

CYCLOHEXANE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: JP006890
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

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

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-34ac8fd123caac81b782
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 2.75 28
  26 4.02 40
  27 30.39 304
  28 12.18 122
  29 10.91 109
  38 2.39 24
  39 34.44 344
  40 5.52 55
  41 71.56 716
  42 30.92 309
  43 12.75 128
  50 2.34 23
  51 3.68 37
  52 1.55 16
  53 5.6 56
  54 6.4 64
  55 37.87 379
  56 99.99 999
  57 3.73 37
  67 2.91 29
  68 1.72 17
  69 23.03 230
  70 1.41 14
  83 4.37 44
  84 59.02 590
  85 3.23 32
//

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