ACCESSION: MSBNK-EPA-ENTACT_AGILENT000273
RECORD_TITLE: 2,6-Dimethoxybenzoic acid; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-014i-0900000000-68f186085798fc10f5b6
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  77.038577 4.401613 43
  79.054227 3.543896 35
  105.033491 1.103243 11
  107.012756 6.132662 61
  107.049141 3.146914 31
  109.064791 1.914192 19
  122.036231 15.69568 156
  135.044056 2.665595 26
  150.031145 36.168656 361
  165.054621 100.000003 999
//