ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012311
RECORD_TITLE: 6-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$NAME: 6-PHENYLUNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈
CH$EXACT_MASS: 232.21910
CH$SMILES: CCCCCC(CCCCC)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H28/c1-3-5-8-12-16(13-9-6-4-2)17-14-10-7-11-15-17/h7,10-11,14-16H,3-6,8-9,12-13H2,1-2H3
CH$LINK: CAS 4537-14-8
CH$LINK: COMPTOX DTXSID5075446
CH$LINK: INCHIKEY WCABIRIFXVXGQH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:20660

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$SPLASH: splash10-0a4i-0930000000-2082f9566e8cd83d002e
PK$NUM_PEAK: 24
PK$PEAK: m/z int. rel.int.
  57 2.29 23
  71 2.84 28
  85 3.92 39
  91 1.24 12
  99 3.63 36
  105 2.87 29
  107 1.45 15
  113 2.33 23
  119 5.01 50
  133 4.01 40
  147 5.33 53
  155 99.99 999
  156 12.3 123
  161 24.59 246
  162 3.49 35
  169 1.05 11
  175 4.14 41
  189 1.15 12
  203 2.27 23
  217 6.23 62
  218 1.04 10
  231 38.08 381
  232 12.11 121
  233 2.12 21
//