MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012159

UNDECANE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012159
RECORD_TITLE: UNDECANE; 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$NAME: UNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₂₄
CH$EXACT_MASS: 156.18780
CH$SMILES: CCCCCCCCCCC
CH$IUPAC: InChI=1S/C11H24/c1-3-5-7-9-11-10-8-6-4-2/h3-11H2,1-2H3
CH$LINK: CAS 1120-21-4
CH$LINK: INCHIKEY RSJKGSCJYJTIGS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9021689

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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$SPLASH: splash10-0a4i-9800000000-e16f69b0d73326e5e760
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  55 3.38 34
  56 2.33 23
  57 31.37 314
  58 1.46 15
  59 1.05 11
  69 1.48 15
  71 42.37 424
  72 2.61 26
  85 32.03 320
  86 2.16 22
  99 19.92 199
  100 1.51 15
  113 7.96 80
  127 2.05 21
  141 6.26 63
  155 99.99 999
  156 14.29 143
//