ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP001541
RECORD_TITLE: SEC-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$NAME: SEC-BUTYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CCC(C)c(c1)cccc1
CH$IUPAC: InChI=1S/C10H14/c1-3-9(2)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3
CH$LINK: INCHIKEY ZJMWRROPUADPEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022333

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$SPLASH: splash10-0a4i-4900000000-a15050290384b11c433e
PK$NUM_PEAK: 26
PK$PEAK: m/z int. rel.int.
  27 4.6 46
  29 1.95 20
  39 4.96 50
  41 2.98 30
  50 2.12 21
  51 5.91 59
  52 1.62 16
  53 1.18 12
  63 1.92 19
  65 2.91 29
  77 10.36 104
  78 4.05 41
  79 8.56 86
  89 1.23 12
  91 13.49 135
  92 1.06 11
  102 1 10
  103 5.32 53
  104 2.93 29
  105 99.99 999
  106 8.88 89
  115 1.75 18
  117 1.12 11
  119 2.2 22
  134 19.72 197
  135 2.26 23
//