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MassBank Record: JP001551

CYCLOHEXANE; EI-B; MS

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

ACCESSION: JP001551
RECORD_TITLE: CYCLOHEXANE; 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

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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0a4i-9000000000-fa371e4a0a1a00f32fb2
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  15 0.1 1
  26 0.19 2
  27 1.54 15
  28 0.71 7
  29 0.8 8
  38 0.16 2
  39 2.13 21
  40 0.49 5
  41 5.34 53
  42 2.46 25
  43 1.11 11
  50 0.18 2
  51 0.29 3
  52 0.12 1
  53 0.47 5
  54 0.61 6
  55 3.44 34
  56 99.99 999
  57 0.46 5
  67 0.33 3
  68 0.23 2
  69 3.02 30
  70 0.16 2
  83 0.59 6
  84 9.89 99
  85 0.66 7
//

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