MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004796

METHYLCYCLOHEXANE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004796
RECORD_TITLE: METHYLCYCLOHEXANE; 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

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CH$NAME: METHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₁₄
CH$EXACT_MASS: 98.10955
CH$SMILES: CC(C1)CCCC1
CH$IUPAC: InChI=1S/C7H14/c1-7-5-3-2-4-6-7/h7H,2-6H2,1H3
CH$LINK: CAS 108-87-2
CH$LINK: INCHIKEY UAEPNZWRGJTJPN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0047749

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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

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-053r-9000000000-88370d240d0d0b493ed6
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  42 32.27 323
  43 4.53 45
  51 1.41 14
  52 1 10
  53 4.29 43
  54 4.71 47
  55 79.56 796
  56 28.85 289
  57 4.71 47
  67 3.71 37
  68 8.48 85
  69 23.55 236
  70 21.55 216
  71 1.29 13
  81 1.94 19
  82 15.31 153
  83 99.99 999
  84 5.83 58
  97 2.41 24
  98 38.33 383
  99 2.82 28
//