ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012318
RECORD_TITLE: TRIDECYLBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: TRIDECYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂
CH$EXACT_MASS: 260.25040
CH$SMILES: CCCCCCCCCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C19H32/c1-2-3-4-5-6-7-8-9-10-11-13-16-19-17-14-12-15-18-19/h12,14-15,17-18H,2-11,13,16H2,1H3
CH$LINK: CAS 123-02-4
CH$LINK: INCHIKEY MCVUKOYZUCWLQQ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7040784

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-08fr-0190000000-cb6bc34539c1e0d12a80
PK$NUM_PEAK: 33
PK$PEAK: m/z int. rel.int.
  57 4.69 47
  71 5.77 58
  85 5.25 53
  91 9.35 94
  92 4.05 41
  99 3.7 37
  105 5.5 55
  113 3.83 38
  119 4.31 43
  127 3.1 31
  133 4.63 46
  141 2.19 22
  147 4.73 47
  161 4.55 46
  175 3.85 39
  183 9.46 95
  189 3.39 34
  203 2.23 22
  217 1.74 17
  231 2.23 22
  238 1.11 11
  245 7.97 80
  246 1.47 15
  259 99.99 999
  260 33 330
  261 98.62 986
  262 19.39 194
  263 2 20
  289 34.94 349
  290 7.7 77
  301 8.36 84
  302 1.84 18
  303 1.04 10
//