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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP006878

DODECANE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006878
RECORD_TITLE: DODECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: DODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H26
CH$EXACT_MASS: 170.20345
CH$SMILES: CCCCCCCCCCCC
CH$IUPAC: InChI=1S/C12H26/c1-3-5-7-9-11-12-10-8-6-4-2/h3-12H2,1-2H3
CH$LINK: INCHIKEY SNRUBQQJIBEYMU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026913

AC$INSTRUMENT: HITACHI M-80B
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-052f-9000000000-a4f0cf165600c30ffaef
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 19.25 193
  28 11.48 115
  29 30.84 308
  39 9.51 95
  41 47.32 473
  42 13.14 131
  43 99.51 995
  44 2.52 25
  53 2.08 21
  54 2.11 21
  55 18.61 186
  56 15.71 157
  57 99.99 999
  58 3.34 33
  69 3.73 37
  70 8.28 83
  71 47.59 476
  72 2.53 25
  83 1.82 18
  84 4.8 48
  85 24.56 246
  86 1.69 17
  98 3.8 38
  99 3.25 33
  112 1.99 20
  113 2.66 27
  127 1.75 18
  170 2.9 29
//

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