ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012306
RECORD_TITLE: UNDECYLBENZENE; 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$NAME: UNDECYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₇H₂₈
CH$EXACT_MASS: 232.21910
CH$SMILES: CCCCCCCCCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C17H28/c1-2-3-4-5-6-7-8-9-11-14-17-15-12-10-13-16-17/h10,12-13,15-16H,2-9,11,14H2,1H3
CH$LINK: CAS 6742-54-7
CH$LINK: INCHIKEY XBEADGFTLHRJRB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3029281

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$SPLASH: splash10-001i-1190000000-bd6bd0118e9946f91053
PK$NUM_PEAK: 29
PK$PEAK: m/z int. rel.int.
  57 10.49 105
  71 10.26 103
  85 10.58 106
  91 13.75 138
  92 4.48 45
  99 7.95 80
  105 7.88 79
  113 4.37 44
  119 6.95 70
  129 1.03 10
  133 6.73 67
  147 5.53 55
  155 11.76 118
  156 2.05 21
  161 4.82 48
  175 3.4 34
  189 2.02 20
  203 2.19 22
  217 7.5 75
  218 1.16 12
  231 90.01 900
  232 28.34 283
  233 99.99 999
  234 17.41 174
  235 1.19 12
  261 35.83 358
  262 6.49 65
  273 8.94 89
  274 1.94 19
//