ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012308
RECORD_TITLE: 3-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$NAME: 3-PHENYLUNDECANE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈
CH$EXACT_MASS: 232.21910
CH$SMILES: CCCCCCCCC(CC)c(c1)cccc1
CH$IUPAC: InChI=1S/C17H28/c1-3-5-6-7-8-10-13-16(4-2)17-14-11-9-12-15-17/h9,11-12,14-16H,3-8,10,13H2,1-2H3
CH$LINK: CAS 4536-87-2
CH$LINK: INCHIKEY NVHBFHMWJJMQTG-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20874982

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$SPLASH: splash10-0a4i-0930000000-65dc14540dda68d550e5
PK$NUM_PEAK: 22
PK$PEAK: m/z int. rel.int.
  57 2.07 21
  71 3.16 32
  85 4.47 45
  91 1.15 12
  99 4.21 42
  105 2.73 27
  107 1.74 17
  113 2.5 25
  119 16.1 161
  120 1.63 16
  133 3.77 38
  147 3.07 31
  155 99.99 999
  156 11.57 116
  161 4.22 42
  175 2.32 23
  203 5.56 56
  217 6.29 63
  218 1.06 11
  231 39.19 392
  232 11.47 115
  233 2.05 21
//