ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012321
RECORD_TITLE: 4-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$NAME: 4-PHENYLTRIDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₉H₃₂
CH$EXACT_MASS: 260.25040
CH$SMILES: CCCCCCCCCC(CCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C19H32/c1-3-5-6-7-8-9-11-15-18(14-4-2)19-16-12-10-13-17-19/h10,12-13,16-18H,3-9,11,14-15H2,1-2H3
CH$LINK: CAS 4534-51-4
CH$LINK: INCHIKEY RZGVZPAWCGDMCK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70875202

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$SPLASH: splash10-001i-0940000000-312ff6f8e687eb5fb75a
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  57 1.54 15
  71 1.17 12
  85 1.5 15
  99 1.78 18
  105 1.57 16
  107 1.19 12
  113 2.33 23
  119 2.58 26
  127 2.11 21
  133 13.46 135
  134 1.58 16
  141 1.27 13
  147 3.19 32
  161 3.07 31
  175 4.58 46
  183 99.99 999
  184 13.87 139
  189 2.05 21
  217 9.7 97
  218 1.68 17
  231 2.12 21
  245 5.74 57
  246 1.08 11
  259 39.01 390
  260 12.02 120
  261 1.74 17
//