ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012322
RECORD_TITLE: 5-PHENYLTRIDECANE; 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$NAME: 5-PHENYLTRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂
CH$EXACT_MASS: 260.25040
CH$SMILES: CCCCCCCCC(CCCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H32/c1-3-5-7-8-9-11-15-18(14-6-4-2)19-16-12-10-13-17-19/h10,12-13,16-18H,3-9,11,14-15H2,1-2H3
CH$LINK: CAS 4534-50-3
CH$LINK: INCHIKEY MZTIRLOLMGVVEK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID90875204

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$SPLASH: splash10-001i-0940000000-fd70b848303f351d1efc
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  57 1.76 18
  71 1.37 14
  79 1.11 11
  85 2.24 22
  91 1.07 11
  99 2.46 25
  105 2.59 26
  107 1.52 15
  113 2.74 27
  119 1.47 15
  127 2.56 26
  133 2.02 20
  141 1.33 13
  147 39.06 391
  148 4.83 48
  181 1.09 11
  183 99.99 999
  184 12.89 129
  203 25.62 256
  204 4.25 43
  217 2.2 22
  245 7.23 72
  246 1.28 13
  259 32.81 328
  260 9.86 99
  261 1.45 15
//