ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP006879
RECORD_TITLE: TRIDECANE; 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$NAME: TRIDECANE
CH$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$LINK: INCHIKEY IIYFAKIEWZDVMP-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6027266

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$SPLASH: splash10-052f-9000000000-4ac0138633416b7e1a3c
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  27 14.66 147
  28 3.91 39
  29 30.24 302
  32 1.81 18
  39 7.97 80
  41 47.19 472
  42 11.74 117
  43 93.58 936
  44 3.39 34
  53 2.16 22
  54 1.78 18
  55 16.18 162
  56 16.3 163
  57 99.99 999
  58 3.67 37
  67 1.58 16
  69 4.95 50
  70 9.85 99
  71 54.17 542
  72 2.75 28
  83 2.08 21
  84 5.91 59
  85 26.68 267
  86 1.62 16
  97 1.12 11
  98 4.23 42
  99 4.64 46
  112 2 20
  113 2.69 27
  126 1.37 14
  127 1.98 20
  141 1.5 15
  184 2.91 29
//