ACCESSION: MSBNK-EPA-ENTACT_AGILENT002188
RECORD_TITLE: 2-Amino-6-chloro-4-nitrophenol; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-000i-0900000000-a4ccf2dab70dfa5ce10d
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  34.969401 1.529683 15
  41.998537 1.855551 18
  45.993452 1.554315 15
  120.009102 1.740018 17
  156.993605 1.073097 10
  186.991593 100 999
//