MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012271

3-METHYL-1-ISOPROPYLBENZENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012271
RECORD_TITLE: 3-METHYL-1-ISOPROPYLBENZENE; 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$NAME: 3-METHYL-1-ISOPROPYLBENZENE
CH$NAME: 3-ISOPROPYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₄
CH$EXACT_MASS: 134.10955
CH$SMILES: CC(C)c(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C10H14/c1-8(2)10-6-4-5-9(3)7-10/h4-8H,1-3H3
CH$LINK: CAS 535-77-3
CH$LINK: INCHIKEY XCYJPXQACVEIOS-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID2060206

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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$SPLASH: splash10-0016-4900000000-7e22c2f43a675e8f3826
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  91 3.09 31
  93 99.99 999
  94 8.19 82
  105 2.16 22
  119 26.69 267
  120 2.71 27
  121 48.18 482
  122 4.76 48
  133 37.02 370
  134 14.44 144
  135 88.63 886
  136 9.78 98
  175 4.37 44
//