ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012310
RECORD_TITLE: 5-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$NAME: 5-PHENYLUNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈
CH$EXACT_MASS: 232.21910
CH$SMILES: CCCCCCC(CCCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H28/c1-3-5-7-9-13-16(12-6-4-2)17-14-10-8-11-15-17/h8,10-11,14-16H,3-7,9,12-13H2,1-2H3
CH$LINK: CAS 4537-15-9
CH$LINK: INCHIKEY RRPCXIBGXYGQNC-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40874984

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$SPLASH: splash10-0a4i-0920000000-1fa8608768360da9cc8e
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  57 1.74 17
  71 3.27 33
  85 4.64 46
  91 1.41 14
  99 4.3 43
  105 3.14 31
  107 1.76 18
  113 2.55 26
  119 4.73 47
  133 8.37 84
  147 19.19 192
  148 2.31 23
  155 99.99 999
  156 10.81 108
  175 12.57 126
  176 1.76 18
  189 3.03 30
  203 1.34 13
  217 6.51 65
  218 1.05 11
  231 33.07 331
  232 9.63 96
  233 1.69 17
//