ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012313
RECORD_TITLE: 2-PHENYLDODECANE; 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$NAME: 2-PHENYLDODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀
CH$EXACT_MASS: 246.23475
CH$SMILES: CCCCCCCCCCC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H30/c1-3-4-5-6-7-8-9-11-14-17(2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3
CH$LINK: CAS 2719-61-1
CH$LINK: INCHIKEY VRPRIAVYSREHAN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID50875104

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$SPLASH: splash10-014j-0940000000-f3cda76e247f54c7151e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  57 2.11 21
  71 2.2 22
  85 2.98 30
  99 3.34 33
  105 15.59 156
  106 1.63 16
  107 1.61 16
  113 3.27 33
  119 3.05 31
  127 2.01 20
  133 1.37 14
  147 1.62 16
  161 1.35 14
  169 99.99 999
  170 12.95 130
  175 1.64 16
  189 2.29 23
  203 1.27 13
  217 1.13 11
  231 8.56 86
  232 1.54 15
  245 47.55 476
  246 15.17 152
  247 2.73 27
//