MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011233

3-METHOXYPHENYLACETIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011233
RECORD_TITLE: 3-METHOXYPHENYLACETIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

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CH$NAME: 3-METHOXYPHENYLACETIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: COc(c1)cc(cc1)CC(O)=O
CH$IUPAC: InChI=1S/C9H10O3/c1-12-8-4-2-3-7(5-8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
CH$LINK: INCHIKEY LEGPZHPSIPPYIO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID70170865

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AC$INSTRUMENT: SHIMADZU QP-1000EX
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 20 eV

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MS$FOCUSED_ION: ION_TYPE [M]+*

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PK$SPLASH: splash10-01b9-2900000000-653bf551e50c18e4002b
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  39 0.9 9
  41 1.2 12
  53 0.9 9
  55 0.9 9
  65 4.9 49
  77 9.3 93
  78 5.2 52
  79 3.5 35
  89 1.1 11
  90 1.7 17
  91 28.5 285
  92 4.5 45
  93 0.8 8
  105 1 10
  106 2.7 27
  107 5.5 55
  121 94.8 948
  122 13.9 139
  123 1.8 18
  148 1 10
  166 99.99 999
  167 10.2 102
  168 1 10
//