ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012255
RECORD_TITLE: PROPYLBENZENE; 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$NAME: PROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: CCCc(c1)cccc1
CH$IUPAC: InChI=1S/C9H12/c1-2-6-9-7-4-3-5-8-9/h3-5,7-8H,2,6H2,1H3
CH$LINK: CAS 103-65-1
CH$LINK: INCHIKEY ODLMAHJVESYWTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3042219

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$SPLASH: splash10-00di-1900000000-b0853d26db8bca3070a1
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  79 22.18 222
  80 1.46 15
  91 7 70
  105 9.91 99
  107 18.31 183
  108 1.49 15
  119 18.97 190
  120 12.68 127
  121 99.99 999
  122 9.81 98
  149 22.3 223
  150 2.59 26
  161 12.56 126
  162 1.57 16
//