ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001539
RECORD_TITLE: BUTYLBENZENE; 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$NAME: BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CCCCc(c1)cccc1
CH$IUPAC: InChI=1S/C10H14/c1-2-3-7-10-8-5-4-6-9-10/h4-6,8-9H,2-3,7H2,1H3
CH$LINK: INCHIKEY OCKPCBLVNKHBMX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022472

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$SPLASH: splash10-0006-9100000000-87afb85e61f7e8e6378f
PK$NUM_PEAK: 28
PK$PEAK: m/z int. rel.int.
  27 5.75 58
  28 1.02 10
  29 2.02 20
  39 7.63 76
  41 4.39 44
  43 2.42 24
  50 2.09 21
  51 6.34 63
  52 1.74 17
  53 1.06 11
  63 3.22 32
  65 11.97 120
  77 6.41 64
  78 6.83 68
  79 3.36 34
  89 2 20
  90 1.25 13
  91 99.99 999
  92 58.04 580
  93 4.67 47
  103 2.68 27
  104 1.79 18
  105 9.73 97
  106 1.25 13
  115 1.46 15
  119 1.18 12
  134 28.28 283
  135 3.24 32
//