ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012309
RECORD_TITLE: 4-PHENYLUNDECANE; 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$NAME: 4-PHENYLUNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈
CH$EXACT_MASS: 232.21910
CH$SMILES: CCCCCCCC(CCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H28/c1-3-5-6-7-9-13-16(12-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
CH$LINK: CAS 4536-86-1
CH$LINK: INCHIKEY NSQAXMRLBNXEHK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80874983

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$SPLASH: splash10-0a59-0930000000-d9d2b0e3f6098711985b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  57 1.8 18
  71 3.17 32
  85 4.38 44
  91 1.29 13
  99 4.21 42
  105 2.15 22
  107 1.73 17
  113 2.37 24
  119 4.19 42
  133 17 170
  134 1.83 18
  147 5.96 60
  155 99.99 999
  156 11.03 110
  161 2.86 29
  175 1.85 19
  189 11.15 112
  190 1.61 16
  203 2.11 21
  217 5.03 50
  231 35.7 357
  232 10.53 105
  233 1.82 18
//