ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012314
RECORD_TITLE: 3-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$NAME: 3-PHENYLDODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀
CH$EXACT_MASS: 246.23475
CH$SMILES: CCCCCCCCCC(CC)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H30/c1-3-5-6-7-8-9-11-14-17(4-2)18-15-12-10-13-16-18/h10,12-13,15-17H,3-9,11,14H2,1-2H3
CH$LINK: CAS 2400-00-2
CH$LINK: INCHIKEY PGVOXXHNGYYHHB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40862922

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$SPLASH: splash10-014j-0940000000-3b8cfd9945987c212125
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  57 1.94 19
  71 2.01 20
  85 2.82 28
  91 1.1 11
  99 3.29 33
  105 2.63 26
  107 1.68 17
  113 3.22 32
  119 16.07 161
  120 1.56 16
  127 1.83 18
  133 3.14 31
  147 2.28 23
  161 3.07 31
  169 99.99 999
  170 12.84 128
  175 3.83 38
  189 2.05 21
  217 5.56 56
  231 7.21 72
  232 1.37 14
  245 44.83 448
  246 13.36 134
  247 2.17 22
//