ACCESSION: MSBNK-EPA-ENTACT_AGILENT002186
RECORD_TITLE: 2-Amino-6-chloro-4-nitrophenol; ESI-QTOF; MS2; CE: 40; [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 40

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$SPLASH: splash10-0002-9000000000-d4a15881f5ece48bd1b2
PK$NUM_PEAK: 23
PK$PEAK: m/z int. rel.int.
  34.969401 20.941721 209
  41.003288 6.550911 65
  41.998537 43.95119 439
  45.993452 99.999998 999
  46.017261 1.952635 19
  46.029837 1.122783 11
  49.008374 6.560472 65
  50.003623 17.444392 174
  51.011448 2.562552 25
  51.024024 1.182284 11
  52.019273 2.080407 20
  63.011448 3.443461 34
  65.011842 1.437659 14
  65.998537 15.335846 153
  67.006849 1.248421 12
  68.014187 6.188266 61
  76.019273 16.736377 167
  78.011113 4.316769 43
  79.006362 1.514738 15
  89.998537 1.995846 19
  92.014187 1.758121 17
  93.022012 1.357929 13
  120.009102 8.993681 89
//