ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012315
RECORD_TITLE: 4-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$NAME: 4-PHENYLDODECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₈H₃₀
CH$EXACT_MASS: 246.23475
CH$SMILES: CCCCCCCCC(CCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C18H30/c1-3-5-6-7-8-10-14-17(13-4-2)18-15-11-9-12-16-18/h9,11-12,15-17H,3-8,10,13-14H2,1-2H3
CH$LINK: CAS 2719-64-4
CH$LINK: INCHIKEY RHDHXBLZBVAPTL-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID10875105

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$SPLASH: splash10-014j-0940000000-b54d5047b14884bcd7d6
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  57 1.43 14
  71 1.77 18
  85 2.56 26
  91 1.08 11
  99 2.9 29
  105 1.58 16
  107 1.38 14
  113 2.94 29
  119 3.17 32
  127 1.8 18
  133 15.3 153
  134 1.74 17
  147 4.29 43
  161 4.7 47
  169 99.99 999
  170 12.95 130
  175 2.75 28
  189 1.01 10
  203 10.85 109
  204 1.91 19
  217 2.27 23
  231 5.52 55
  232 1.02 10
  245 41.29 413
  246 12.48 125
  247 1.95 20
//