ACCESSION: MSBNK-EPA-ENTACT_AGILENT000623
RECORD_TITLE: 4-Acetylaminophenylacetic acid; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Acetylaminophenylacetic acid
CH$NAME: DTXSID0020020
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₁NO₃
CH$EXACT_MASS: 193.0738932252
CH$SMILES: CC(=O)NC1C=CC(CC(O)=O)=CC=1
CH$IUPAC: InChI=1S/C10H11NO3/c1-7(12)11-9-4-2-8(3-5-9)6-10(13)14/h2-5H,6H2,1H3,(H,11,12)(H,13,14)
CH$LINK: CAS 18699-02-0
CH$LINK: INCHIKEY MROJXXOCABQVEF-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:2018

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$FOCUSED_ION: PRECURSOR_M/Z 194.0811696769
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-4900000000-5f0c7bb8cb2e3d7fe3c3
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  43.017841 14.46806 144
  77.038577 14.073941 140
  79.054227 12.243456 122
  80.049476 2.052681 20
  89.038577 1.543944 15
  93.057301 1.611162 16
  106.065126 100.000001 999
  107.049141 2.304554 23
//