MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002636

4-METHOXYPHENYLACETIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002636
RECORD_TITLE: 4-METHOXYPHENYLACETIC ACID METHYL ESTER; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: KOGA M, UNIV. OF OCCUPATIONAL AND ENVIRONMENTAL HEALTH
LICENSE: CC BY-NC-SA

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CH$NAME: 4-METHOXYPHENYLACETIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₂O₃
CH$EXACT_MASS: 180.07864
CH$SMILES: COC(=O)Cc(c1)ccc(OC)c1
CH$IUPAC: InChI=1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
CH$LINK: INCHIKEY ZQYLDVNTWDEAJI-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID80178473

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AC$INSTRUMENT: JEOL JMS-01-SG
AC$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$SPLASH: splash10-00ai-9800000000-4e4d33afb476f217dd2e
PK$NUM_PEAK: 18
PK$PEAK: m/z int. rel.int.
  42 12.4 124
  50 5.8 58
  51 26.2 262
  52 1.45 15
  53 3.6 36
  63 5.1 51
  65 9.4 94
  74 0.8 8
  77 43 430
  78 40.8 408
  79 3.6 36
  89 1.02 10
  91 25.5 255
  106 4.3 43
  121 56.2 562
  122 4.37 44
  180 99.99 999
  181 10.2 102
//