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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012268

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

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

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012268
RECORD_TITLE: 3-METHYL-1-PROPYLBENZENE; 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$NAME: 3-METHYL-1-PROPYLBENZENE
CH$NAME: 3-PROPYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C10H14
CH$EXACT_MASS: 134.10955
CH$SMILES: CCCc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C10H14/c1-3-5-10-7-4-6-9(2)8-10/h4,6-8H,3,5H2,1-2H3
CH$LINK: CAS 1074-43-7
CH$LINK: INCHIKEY QUEBYVKXYIKVSO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4061468

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$SPLASH: splash10-000i-1900000000-051d59cfb158d0e39e13
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  93 22.15 222
  94 1.86 19
  105 4.78 48
  119 7.96 80
  121 6.21 62
  133 22.74 227
  134 9.65 97
  135 99.99 999
  136 10.61 106
  163 19.86 199
  164 2.58 26
  175 6.5 65
  176 1.03 10
//

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