ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP007132
RECORD_TITLE: SEC-BUTYLBENZENE; 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$NAME: SEC-BUTYLBENZENE
CH$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$LINK: CAS 135-98-8
CH$LINK: INCHIKEY ZJMWRROPUADPEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022333

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$SPLASH: splash10-0a4i-4900000000-284d2852d16640633815
PK$NUM_PEAK: 25
PK$PEAK: m/z int. rel.int.
  27 5.69 57
  29 2.93 29
  39 5.06 51
  41 2.87 29
  50 1.98 20
  51 7.14 71
  52 1.47 15
  53 1.23 12
  63 2.21 22
  65 2.72 27
  77 12.74 127
  78 4.1 41
  79 9.03 90
  91 15.63 156
  92 1.06 11
  102 1.07 11
  103 6.71 67
  104 3.11 31
  105 99.99 999
  106 8.19 82
  115 1.72 17
  117 1.01 10
  119 1.35 14
  134 17.98 180
  135 1.63 16
//