ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007687
RECORD_TITLE: TRIDECANE; 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$NAME: TRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₃H₂₈
CH$EXACT_MASS: 184.21910
CH$SMILES: CCCCCCCCCCCCC
CH$IUPAC: InChI=1S/C13H28/c1-3-5-7-9-11-13-12-10-8-6-4-2/h3-13H2,1-2H3
CH$LINK: CAS 629-50-5
CH$LINK: INCHIKEY IIYFAKIEWZDVMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027266

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$SPLASH: splash10-052f-9000000000-0ce01dfea4481d77cbe6
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  40 4.1 41
  41 42.9 429
  42 12.5 125
  43 99.99 999
  44 4.2 42
  53 1.5 15
  54 1.5 15
  55 1.42 14
  56 14.2 142
  57 94.9 949
  58 4.2 42
  67 0.08 1
  68 0.8 8
  69 4.9 49
  70 8.7 87
  71 4.59 46
  72 2.5 25
  82 0.8 8
  83 2.3 23
  84 0.47 5
  85 23.1 231
  86 1.5 15
  97 1.1 11
  98 0.32 3
  99 4 40
  112 1.9 19
  113 1.9 19
  126 0.11 1
  127 1.5 15
  141 0.9 9
  155 0.4 4
  184 0.11 1
  185 0.2 2
//