ACCESSION: MSBNK-EPA-ENTACT_AGILENT002482
RECORD_TITLE: Methyl 4-methoxybenzoate; ESI-QTOF; MS2; CE: 20; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: Methyl 4-methoxybenzoate
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₉H₁₀O₃
CH$EXACT_MASS: 166.0629941859
CH$SMILES: COC(=O)C1C=CC(=CC=1)OC
CH$IUPAC: InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
CH$LINK: CAS 121-98-2
CH$LINK: INCHIKEY DDIZAANNODHTRB-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:8499

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$SPLASH: splash10-004i-9000000000-8a25e6955167ee75be3f
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41.038577 3.455558 34
  55.054227 1.209359 12
  57.069877 8.117593 81
  61.007276 12.528885 125
  62.015101 3.284769 32
  63.994366 21.907247 218
  64.015495 2.39518 23
  79.017841 99.999998 999
  79.054227 1.729674 17
  107.049141 2.491486 24
  149.02332 1.67806 16
//