ACCESSION: MSBNK-EPA-ENTACT_AGILENT002187
RECORD_TITLE: 2-Amino-6-chloro-4-nitrophenol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Amino-6-chloro-4-nitrophenol
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClN₂O₃
CH$EXACT_MASS: 187.9988697512
CH$SMILES: NC1C=C(C=C(Cl)C=1O)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H5ClN2O3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H,8H2
CH$LINK: CAS 6358-09-4
CH$LINK: INCHIKEY TWLMSPNQBKSXOP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:4679699

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 20

MS$FOCUSED_ION: PRECURSOR_M/Z 186.9915932995
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000i-5900000000-66f6ac7b5804813ac12d
PK$NUM_PEAK: 20
PK$PEAK: m/z int. rel.int.
  34.969401 13.522902 135
  41.003288 1.047765 10
  41.998537 20.527612 205
  45.993452 14.679452 146
  50.003623 1.802467 18
  51.011448 1.038034 10
  52.019273 1.114293 11
  65.998537 2.795784 27
  67.006849 1.814577 18
  68.014187 3.622396 36
  76.019273 5.772102 57
  79.006849 1.666786 16
  81.993939 1.683225 16
  93.022012 1.64114 16
  104.014187 1.560386 15
  120.009102 12.557634 125
  121.016927 1.39527 13
  134.012176 1.150159 11
  156.993605 6.141172 61
  186.991593 100.000003 999
//