MassBank Record: MSBNK-EPA-ENTACT_AGILENT000698

4-Fluoro-3-nitroaniline; ESI-QTOF; MS2; CE: 20; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000698
RECORD_TITLE: 4-Fluoro-3-nitroaniline; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 4-Fluoro-3-nitroaniline
CH$NAME: DTXSID5052042
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅FN₂O₂
CH$EXACT_MASS: 156.0335056189
CH$SMILES: NC1=CC(=C(F)C=C1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H5FN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
CH$LINK: CAS 364-76-1
CH$LINK: INCHIKEY LLIOADBCFIXIEU-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:67768

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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

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MS$FOCUSED_ION: PRECURSOR_M/Z 155.0262291672
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-0002-9000000000-6162239deba0916fa2b4
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  45.993452 100.000002 999
  46.017261 1.963596 19
  46.029837 1.048759 10
  88.019273 1.132204 11
  89.027098 1.320617 13
  98.017341 3.148775 31
  109.033326 1.326756 13
  125.028241 4.460849 44
//