ACCESSION: MSBNK-EPA-ENTACT_AGILENT002324
RECORD_TITLE: Methyl 2-methoxybenzoate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Methyl 2-methoxybenzoate
CH$NAME: DTXSID5047087
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.0629941859
CH$SMILES: COC(=O)C1C=CC=CC=1OC
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3
CH$LINK: CAS 606-45-1
CH$LINK: INCHIKEY PFYHAAAQPNMZHO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:61151

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$FOCUSED_ION: PRECURSOR_M/Z 167.0702706376
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-004i-9000000000-ef1b4812d5fbf0ae779a
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  57.069877 3.305928 33
  61.007276 7.125811 71
  62.015101 1.088793 10
  63.994366 16.916672 168
  77.038577 1.507211 15
  79.017841 100 999
  79.054227 2.354057 23
  107.049141 8.561128 85
  121.028406 1.687927 16
  149.02332 2.547916 25
//