MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP012258

3-ETHYLTOLUENE; CI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP012258
RECORD_TITLE: 3-ETHYLTOLUENE; 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$NAME: 3-ETHYLTOLUENE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₂
CH$EXACT_MASS: 120.09390
CH$SMILES: CCc(c1)cc(C)cc1
CH$IUPAC: InChI=1S/C9H12/c1-3-9-6-4-5-8(2)7-9/h4-7H,3H2,1-2H3
CH$LINK: CAS 620-14-4
CH$LINK: INCHIKEY ZLCSFXXPPANWQY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID6050386

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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$SPLASH: splash10-00di-0900000000-ee2ccae05f2a7159c701
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  93 3.83 38
  105 4.2 42
  119 13.24 132
  120 7.04 70
  121 99.99 999
  122 9.7 97
  149 18.91 189
  150 2.29 23
  161 6.2 62
//