ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007676
RECORD_TITLE: PARA-ETHYLTOLUENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

CH$NAME: PARA-ETHYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: CCc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H12/c1-3-9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
CH$LINK: CAS 622-96-8
CH$LINK: INCHIKEY JRLPEMVDPFPYPJ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9029194

AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0a4i-4900000000-c20a53d296cf4fb33628
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 3.26 33
  39 6.05 61
  41 2.19 22
  50 1.33 13
  51 3.32 33
  53 1.33 13
  63 3.06 31
  65 5.25 53
  77 13.29 133
  78 4.39 44
  79 16.28 163
  80 1.06 11
  89 1.79 18
  91 11.3 113
  92 1.99 20
  102 1.06 11
  103 8.84 88
  104 2.66 27
  105 99.99 999
  106 8.64 86
  115 2.33 23
  117 2.26 23
  119 1.66 17
  120 23.46 235
  121 2.26 23
//