MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012263

BUTYLBENZENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012263
RECORD_TITLE: 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

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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$LINK: CAS 104-51-8
CH$LINK: INCHIKEY OCKPCBLVNKHBMX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6022472

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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

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PK$SPLASH: splash10-052r-4900000000-5e380497d3b7660f751a
PK$NUM_PEAK: 17
PK$PEAK: m/z int. rel.int.
  57 76.33 763
  58 3.45 35
  79 9.38 94
  91 22.84 228
  92 4.14 41
  105 5.09 51
  107 18.51 185
  108 1.55 16
  119 8.65 87
  133 24.28 243
  134 13.42 134
  135 99.99 999
  136 11.17 112
  163 22.8 228
  164 2.94 29
  175 11.15 112
  176 1.56 16
//