MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012179

CYCLOOCTANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012179
RECORD_TITLE: CYCLOOCTANE; 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$NAME: CYCLOOCTANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₁₆
CH$EXACT_MASS: 112.12520
CH$SMILES: C(C1)CCCCCC1
CH$IUPAC: InChI=1S/C8H16/c1-2-4-6-8-7-5-3-1/h1-8H2
CH$LINK: CAS 292-64-8
CH$LINK: INCHIKEY WJTCGQSWYFHTAC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9075377

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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$SPLASH: splash10-03di-3900000000-0c12ee852b7489b36b8c
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  57 15 150
  69 5.23 52
  71 17.9 179
  72 1.11 11
  111 99.99 999
  112 10.67 107
  113 1.95 20
//