ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001536
RECORD_TITLE: PROPYL BENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: YAMAMOTO M, DEP. CHEMISTRY, FAC. SCIENCE, NARA WOMEN'S UNIV.
LICENSE: CC BY-NC-SA

CH$NAME: PROPYL BENZENE
CH$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$INSTRUMENT: HITACHI RMU-6M
AC$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$SPLASH: splash10-0006-9100000000-47a24ddaa2a5f5cdc82e
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  27 2.8 28
  39 7.45 75
  41 3.16 32
  50 2.33 23
  51 5.78 58
  52 1.58 16
  62 1.02 10
  63 3.4 34
  65 11.48 115
  77 3.72 37
  78 7.34 73
  79 1.61 16
  89 1.91 19
  91 99.99 999
  92 11.66 117
  103 1.27 13
  105 4.18 42
  115 1.29 13
  120 23.53 235
  121 2.28 23
//