ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012265
RECORD_TITLE: SEC-BUTYLBENZENE; CI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: IIDA Y, DAISHIMA S, FAC. OF ENGINEERING, SEIKEI 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$LINK: CAS 135-98-8
CH$LINK: INCHIKEY ZJMWRROPUADPEA-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2022333

AC$INSTRUMENT: FINNIGAN-MAT 4500
AC$INSTRUMENT_TYPE: CI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 120 eV
AC$MASS_SPECTROMETRY: REAGENT_GAS METHANE

PK$SPLASH: splash10-0a4i-7900000000-d7be22933b90f502e71c
PK$NUM_PEAK: 14
PK$PEAK: m/z int. rel.int.
  57 99.99 999
  58 4.56 46
  79 13.25 133
  91 4.99 50
  105 12.29 123
  106 1.22 12
  107 27.07 271
  108 2.32 23
  119 22.49 225
  120 2.23 22
  133 16.66 167
  134 8.22 82
  135 53.48 535
  136 5.87 59
//