ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012316
RECORD_TITLE: 5-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$NAME: 5-PHENYLDODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀
CH$EXACT_MASS: 246.23475
CH$SMILES: CCCCCCCC(CCCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H30/c1-3-5-7-8-10-14-17(13-6-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
CH$LINK: CAS 2719-63-3
CH$LINK: INCHIKEY NPAWGLOPXKCTCV-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30875107

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$SPLASH: splash10-014j-0930000000-0e9fc1d99d4182536672
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  57 1.08 11
  71 2.06 21
  85 2.86 29
  91 1.11 11
  99 3.13 31
  105 2.33 23
  107 1.5 15
  113 3.12 31
  119 2.55 26
  127 1.83 18
  133 4.2 42
  147 26.67 267
  148 3.3 33
  169 99.99 999
  170 11.94 119
  189 17.42 174
  190 2.61 26
  203 2.05 21
  217 1.14 11
  231 7.18 72
  232 1.36 14
  245 37.63 376
  246 11.08 111
  247 1.75 18
//