MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011443

3-HYDROXY-4-METHOXYBENZOIC ACID; EI-B; MS

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ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011443
RECORD_TITLE: 3-HYDROXY-4-METHOXYBENZOIC ACID; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: SUMITA Y, KYOTO COLLEGE OF PHARMACY
LICENSE: CC BY-NC-SA

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CH$NAME: 3-HYDROXY-4-METHOXYBENZOIC ACID
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₈O₄
CH$EXACT_MASS: 168.04226
CH$SMILES: COc(c1)c(O)cc(c1)C(O)=O
CH$IUPAC: InChI=1S/C8H8O4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3,(H,10,11)
CH$LINK: INCHIKEY LBKFGYZQBSGRHY-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID40214745

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AC$INSTRUMENT: HITACHI M-80
AC$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$SPLASH: splash10-0gb9-0900000000-660260d6741ecd0596f0
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  97 8.33 83
  108 1.19 12
  123 2.31 23
  125 9.61 96
  151 11.26 113
  152 1.2 12
  153 46.81 468
  154 3.7 37
  168 99.99 999
  169 9.95 100
  170 1.26 13
//