ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012299
RECORD_TITLE: NONYLBENZENE; 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$NAME: NONYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₅H₂₄
CH$EXACT_MASS: 204.18780
CH$SMILES: CCCCCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C15H24/c1-2-3-4-5-6-7-9-12-15-13-10-8-11-14-15/h8,10-11,13-14H,2-7,9,12H2,1H3
CH$LINK: CAS 1081-77-2
CH$LINK: INCHIKEY LIXVMPBOGDCSRM-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID7040786

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$SPLASH: splash10-0pb9-2190000000-e865b9ca8eff731f42e7
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  57 14.27 143
  71 24.52 245
  72 1.35 14
  85 16.5 165
  91 19.1 191
  92 4.47 45
  105 9.53 95
  107 1.32 13
  119 7.52 75
  127 14.42 144
  128 1.5 15
  133 6.35 64
  147 3.82 38
  161 2.24 22
  175 2.31 23
  189 6.36 64
  203 74.65 747
  204 24.26 243
  205 99.99 999
  206 15.85 159
  207 1.45 15
  233 35.6 356
  234 6.24 62
  245 10.19 102
  246 1.95 20
  247 1.07 11
//