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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP007686

DODECANE; EI-B; MS

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007686
RECORD_TITLE: DODECANE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KYOTO INSTITUTE 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$LINK: CAS 112-40-3
CH$LINK: INCHIKEY SNRUBQQJIBEYMU-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID0026913

AC$INSTRUMENT: SHIMADZU QP-1000
AC$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$SPLASH: splash10-052f-9000000000-60adc4e587abee13f129
PK$NUM_PEAK: 32
PK$PEAK: m/z int. rel.int.
  40 8.7 87
  41 48 480
  42 13.7 137
  43 99.99 999
  44 5.4 54
  53 1.7 17
  54 1.4 14
  55 1.31 13
  56 13.7 137
  57 82.2 822
  58 3.4 34
  67 0.07 1
  68 0.6 6
  69 4.3 43
  70 8 80
  71 3.64 36
  72 2 20
  82 0.5 5
  83 1.7 17
  84 0.48 5
  85 16.6 166
  86 1.7 17
  97 0.7 7
  98 0.27 3
  99 2.6 26
  112 1.4 14
  113 1.5 15
  126 0.06 1
  127 1 10
  141 0.5 5
  170 1.1 11
  171 0.1 1
//

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