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MassBank Record: JP002349

CYCLOHEXANE; EI-B; MS

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

ACCESSION: JP002349
RECORD_TITLE: CYCLOHEXANE; 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

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4l-9000000000-14e97092ea29e622dae3
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  40 51.34 513
  42 27.71 277
  43 13 130
  50 1.08 11
  51 1.7 17
  53 3.23 32
  54 5.41 54
  55 31.6 316
  56 99.99 999
  57 4.59 46
  67 2.39 24
  68 1.78 18
  69 22.78 228
  70 1.18 12
  83 3.81 38
  84 60.47 605
  85 3.87 39
//

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