MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP002618

2-METHOXYBENZOIC ACID METHYL ESTER; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP002618
RECORD_TITLE: 2-METHOXYBENZOIC 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$NAME: 2-METHOXYBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.06299
CH$SMILES: COC(=O)c(c1)c(OC)ccc1
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
CH$LINK: INCHIKEY PFYHAAAQPNMZHO-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5047087

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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$SPLASH: splash10-000i-5900000000-79de0a7440ed21a87cea
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  50 6.8 68
  51 7.7 77
  63 12.1 121
  64 1.13 11
  65 3 30
  76 5.6 56
  77 44.5 445
  78 0.58 6
  79 7.4 74
  91 3.4 34
  92 20.3 203
  93 0.3 3
  105 15.5 155
  107 3 30
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  133 3.47 35
  134 8.3 83
  135 99.99 999
  136 8.5 85
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  151 3 30
  166 34.9 349
  167 3.6 36
//