ACCESSION: MSBNK-EPA-ENTACT_AGILENT002481
RECORD_TITLE: Methyl 4-methoxybenzoate; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-004i-9000000000-86961a6649586dab1b2d
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  45.033491 1.243198 12
  57.069877 1.297184 12
  61.007276 2.931897 29
  63.994366 1.418127 14
  69.069877 1.092507 10
  79.017841 100.000001 999
  79.054227 2.059908 20
  80.025666 1.275664 12
  107.049141 1.381925 13
  107.085527 1.23819 12
  149.02332 2.054369 20
//