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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP005756

DODECANE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP005756
RECORD_TITLE: DODECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
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$LINK: CAS 112-40-3
CH$LINK: COMPTOX DTXSID0026913
CH$LINK: INCHIKEY SNRUBQQJIBEYMU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8182

AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-052f-9000000000-e297100d4245d91a3893
PK$NUM_PEAK: 36
PK$PEAK: m/z int. rel.int.
  39 8.15 82
  40 1.49 15
  41 41.51 415
  42 11.33 113
  43 98.66 987
  44 3.45 35
  53 2.13 21
  54 2.05 21
  55 17.07 171
  56 14.21 142
  57 99.99 999
  58 4.93 49
  67 1.24 12
  68 1.11 11
  69 6.35 64
  70 11.79 118
  71 52.2 522
  72 2.82 28
  82 0.73 7
  83 2.35 24
  84 7.03 70
  85 29.3 293
  86 0.94 9
  97 0.92 9
  98 5.46 55
  99 5.66 57
  100 0.4 4
  112 3.05 31
  113 4.38 44
  126 1.38 14
  127 3.05 31
  128 0.77 8
  140 0.71 7
  141 1.58 16
  170 5.13 51
  171 0.65 7
//

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