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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP011441

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

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP011441
RECORD_TITLE: 4-HYDROXY-3-METHOXYBENZOIC ACID METHYL ESTER; 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

CH$NAME: 4-HYDROXY-3-METHOXYBENZOIC ACID METHYL ESTER
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C9H10O4
CH$EXACT_MASS: 182.05791
CH$SMILES: COC(=O)c(c1)cc(OC)c(O)c1
CH$IUPAC: InChI=1S/C9H10O4/c1-12-8-5-6(9(11)13-2)3-4-7(8)10/h3-5,10H,1-2H3
CH$LINK: INCHIKEY BVWTXUYLKBHMOX-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID5074345

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

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-0ue9-0900000000-c2808da990a74bab5038
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  65 1.38 14
  67 1.09 11
  77 1.22 12
  93 1.02 10
  108 2.9 29
  111 2.71 27
  123 11.12 111
  124 1.06 11
  136 1.43 14
  137 1.42 14
  139 2.94 29
  151 99.99 999
  152 9.27 93
  153 1.04 10
  167 5.3 53
  181 1.27 13
  182 80.71 807
  183 8.65 87
  184 1.35 14
//

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