ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012304
RECORD_TITLE: 4-PHENYLDECANE; 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$NAME: 4-PHENYLDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₆H₂₆
CH$EXACT_MASS: 218.20345
CH$SMILES: CCCCCCC(CCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C16H26/c1-3-5-6-8-12-15(11-4-2)16-13-9-7-10-14-16/h7,9-10,13-15H,3-6,8,11-12H2,1-2H3
CH$LINK: CAS 4537-12-6
CH$LINK: INCHIKEY QTDBKYLPIZUTFN-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID30874872

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$SPLASH: splash10-0006-1920000000-8b066502ca5cf156646b
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  57 3.31 33
  71 6.08 61
  85 7.09 71
  91 1.76 18
  99 3.83 38
  105 2.92 29
  107 2.17 22
  119 6.08 61
  133 19.68 197
  134 2.16 22
  141 99.99 999
  142 10.31 103
  147 4.36 44
  161 1.71 17
  175 13.44 134
  176 1.9 19
  189 2.4 24
  203 4.91 49
  217 34.94 349
  218 10.29 103
  219 2.38 24
//