MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009651

ETHYL 4-METHYLBENZOATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009651
RECORD_TITLE: ETHYL 4-METHYLBENZOATE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: THE INSTITUTE OF SCIENTIFIC AND INDUSTRIALRESEARCH
LICENSE: CC BY-NC-SA

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CH$NAME: ETHYL 4-METHYLBENZOATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₂
CH$EXACT_MASS: 164.08373
CH$SMILES: CCOC(=O)c(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C10H12O2/c1-3-12-10(11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3
CH$LINK: INCHIKEY NWPWRAWAUYIELB-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5048211

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AC$INSTRUMENT: JEOL JMS-DX-300
AC$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$SPLASH: splash10-014i-2900000000-b28e05aa8e3adaeba98b
PK$NUM_PEAK: 15
PK$PEAK: m/z int. rel.int.
  29 1.5 15
  65 8 80
  89 1.1 11
  90 0.17 2
  91 30.1 301
  92 3.7 37
  105 1.4 14
  119 99.99 999
  120 12.1 121
  136 31.9 319
  137 2.8 28
  149 0.37 4
  163 1.4 14
  164 37.2 372
  165 4.2 42
//