MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP009647

ETHYL 4-METHYLPHENYLACETATE; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP009647
RECORD_TITLE: ETHYL 4-METHYLPHENYLACETATE; 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$NAME: ETHYL 4-METHYLPHENYLACETATE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₁H₁₄O₂
CH$EXACT_MASS: 178.09938
CH$SMILES: CCOC(=O)Cc(c1)ccc(C)c1
CH$IUPAC: InChI=1S/C11H14O2/c1-3-13-11(12)8-10-6-4-9(2)5-7-10/h4-7H,3,8H2,1-2H3
CH$LINK: INCHIKEY BTRGZBIXPLFVNK-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID20161445

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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$SPLASH: splash10-0a4i-4900000000-2f7483e6df709d7749aa
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  27 7.7 77
  29 15.9 159
  31 1 10
  39 0.3 3
  43 1.1 11
  51 3.4 34
  52 1.4 14
  53 0.19 2
  63 1.9 19
  65 2.5 25
  77 13.8 138
  78 0.68 7
  79 8.9 89
  89 1.1 11
  91 3.7 37
  102 0.1 1
  103 9 90
  104 7.3 73
  105 99.99 999
  106 1.05 11
  133 1.4 14
  178 19.8 198
  179 2.4 24
//