MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP000047

METHYL PARA TOLUATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP000047
RECORD_TITLE: METHYL PARA TOLUATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: TAJIMA S, GUNMA COLLEGE OF TECHNOLOGY
LICENSE: CC BY-NC-SA

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CH$NAME: METHYL PARA TOLUATE
CH$NAME: PARA TOLUIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₂
CH$EXACT_MASS: 150.06808
CH$SMILES: COC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C9H10O2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
CH$LINK: INCHIKEY QSSJZLPUHJDYKF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID4025668

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AC$INSTRUMENT: HITACHI RMU-7M
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-014i-5900000000-c3eb93cfbb7c8782e76a
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  15 1.6 16
  39 7.86 79
  41 1.33 13
  50 1.83 18
  51 2.93 29
  62 1.46 15
  63 5.85 59
  65 18.02 180
  89 4.39 44
  90 2.24 22
  91 35.53 355
  92 1.87 19
  119 99.99 999
  120 8.18 82
  150 18.2 182
  151 1.19 12
//