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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012292

1,4-DIISOPROPYLBENZENE; CI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012292
RECORD_TITLE: 1,4-DIISOPROPYLBENZENE; 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$NAME: 1,4-DIISOPROPYLBENZENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C12H18
CH$EXACT_MASS: 162.14085
CH$SMILES: CC(C)c(c1)ccc(C(C)C)c1
CH$IUPAC: InChI=1S/C12H18/c1-9(2)11-5-7-12(8-6-11)10(3)4/h5-10H,1-4H3
CH$LINK: CAS 100-18-5
CH$LINK: INCHIKEY SPPWGCYEYAMHDT-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2026652

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$SPLASH: splash10-03dj-0900000000-63bcb7fbea70534dd0c9
PK$NUM_PEAK: 21
PK$PEAK: m/z int. rel.int.
  79 5.5 55
  85 1.58 16
  105 1.08 11
  107 9.12 91
  119 5.44 54
  121 93.94 939
  122 8.95 90
  133 1.35 14
  147 62.74 627
  148 7.81 78
  149 44.28 443
  150 5.46 55
  159 1.74 17
  161 60.04 600
  162 22.05 221
  163 99.99 999
  164 12.86 129
  165 1 10
  191 2.75 28
  203 6.21 62
  205 1.12 11
//

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