ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007128
RECORD_TITLE: PROPYLBENZENE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SODA AROMATIC CO., LTD.
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$INSTRUMENT: HITACHI M-80B
AC$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$SPLASH: splash10-0006-9100000000-d08eb3639b3ae1a56d8b
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  27 3.05 31
  29 1.25 13
  39 7.08 71
  41 2.22 22
  50 2.02 20
  51 5.83 58
  52 1.32 13
  63 3.3 33
  65 10.91 109
  77 4.02 40
  78 6.49 65
  79 1.22 12
  89 2.1 21
  91 99.99 999
  92 10.39 104
  103 1.02 10
  105 2.83 28
  120 21.5 215
  121 1.82 18
//