ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012269
RECORD_TITLE: 4-METHYL-1-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$NAME: 4-METHYL-1-PROPYLBENZENE
CH$NAME: 4-PROPYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CCCc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C10H14/c1-3-4-10-7-5-9(2)6-8-10/h5-8H,3-4H2,1-2H3
CH$LINK: CAS 1074-55-1
CH$LINK: INCHIKEY JXFVMNFKABWTHD-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID8061470

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$SPLASH: splash10-000i-0900000000-eb86aaba15c81255d780
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  93 19.06 191
  94 1.76 18
  105 5.07 51
  119 7.4 74
  121 5.64 56
  133 25.74 257
  134 10.13 101
  135 99.99 999
  136 11.27 113
  163 20.25 203
  164 2.41 24
  175 7.28 73
//