MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012180

ETHYLCYCLOHEXANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012180
RECORD_TITLE: ETHYLCYCLOHEXANE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

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CH$NAME: ETHYLCYCLOHEXANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: CCC(C1)CCCC1
CH$IUPAC: InChI=1S/C8H16/c1-2-8-6-4-3-5-7-8/h8H,2-7H2,1H3
CH$LINK: CAS 1678-91-7
CH$LINK: INCHIKEY IIEWJVIFRVWJOD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID1051779

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AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

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PK$SPLASH: splash10-03di-2900000000-39c11912aa3c037e3c38
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  57 7.81 78
  71 9.01 90
  82 1.05 11
  83 5.21 52
  97 13.29 133
  98 1.04 10
  111 99.99 999
  112 12.22 122
  113 2.24 22
//