MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012149

NONANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012149
RECORD_TITLE: NONANE; 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$NAME: NONANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₂₀
CH$EXACT_MASS: 128.15650
CH$SMILES: CCCCCCCCC
CH$IUPAC: InChI=1S/C9H20/c1-3-5-7-9-8-6-4-2/h3-9H2,1-2H3
CH$LINK: CAS 111-84-2
CH$LINK: INCHIKEY BKIMMITUMNQMOS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9025796

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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$SPLASH: splash10-00b9-9700000000-e43e188346f432cf0817
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57 49.06 491
  58 2.3 23
  71 58.52 585
  72 3.49 35
  85 28.75 288
  86 1.99 20
  99 2.32 23
  113 4.45 45
  127 99.99 999
  128 13.61 136
//