ACCESSION: MSBNK-EPA-ENTACT_AGILENT001667
RECORD_TITLE: 2-Acetamidophenol; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Acetamidophenol
CH$NAME: DTXSID8022082
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₈H₉NO₂
CH$EXACT_MASS: 151.0633285391
CH$SMILES: CC(=O)NC1C=CC=CC=1O
CH$IUPAC: InChI=1S/C8H9NO2/c1-6(10)9-7-4-2-3-5-8(7)11/h2-5,11H,1H3,(H,9,10)
CH$LINK: CAS 614-80-2
CH$LINK: INCHIKEY ADVGKWPZRIDURE-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:11972

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 40

MS$FOCUSED_ION: PRECURSOR_M/Z 150.0560520874
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0a4i-1900000000-0668624d82b5bddb1793
PK$NUM_PEAK: 10
PK$PEAK: m/z int. rel.int.
  41.003288 1.790947 17
  41.998537 1.551288 15
  50.003623 1.047438 10
  65.003288 3.767776 37
  78.034923 1.486986 14
  81.034588 2.592905 25
  90.034923 1.892664 18
  91.018938 5.692813 56
  107.037662 99.999997 999
  108.045487 49.033223 489
//