ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001673
RECORD_TITLE: PROPYLBENZENE; 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$NAME: PROPYLBENZENE
CH$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$LINK: INCHIKEY ODLMAHJVESYWTB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID3042219

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$SPLASH: splash10-0006-9100000000-793ec8742b70e0386155
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 2.35 24
  39 5.7 57
  41 2.64 26
  50 1.85 19
  51 4.77 48
  52 1.28 13
  63 2.56 26
  65 9.97 100
  77 3.49 35
  78 5.7 57
  79 1.64 16
  89 1.78 18
  91 99.99 999
  92 9.9 99
  103 1.28 13
  105 3.56 36
  115 1.28 13
  120 20.3 203
  121 1.99 20
//