ACCESSION: MSBNK-EPA-ENTACT_AGILENT000272
RECORD_TITLE: 2,6-Dimethoxybenzoic acid; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2,6-Dimethoxybenzoic acid
CH$NAME: DTXSID4046999
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₄
CH$EXACT_MASS: 182.0579088082
CH$SMILES: COC1=CC=CC(OC)=C1C(O)=O
CH$IUPAC: InChI=1S/C9H10O4/c1-12-6-4-3-5-7(13-2)8(6)9(10)11/h3-5H,1-2H3,(H,10,11)
CH$LINK: CAS 1466-76-8
CH$LINK: INCHIKEY MBIZFBDREVRUHY-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:15109

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 183.0651852599
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-4900000000-fa172a0e66792c6b1b85
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  51.022927 6.167573 61
  53.002191 1.203903 12
  55.017841 9.261862 92
  64.030752 5.121918 51
  66.046402 1.712786 17
  75.022927 5.633144 56
  77.038577 14.452299 144
  79.017841 8.505601 84
  92.025666 7.360499 73
  107.012756 100.000003 999
  107.049141 2.405205 24
  122.036231 14.557289 145
  150.031145 3.597295 35
//