MassBank Record: MSBNK-EPA-ENTACT_AGILENT000542

4-Chloro-3-nitroaniline; ESI-QTOF; MS2; CE: 10; [M-H]-

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ACCESSION: MSBNK-EPA-ENTACT_AGILENT000542
RECORD_TITLE: 4-Chloro-3-nitroaniline; ESI-QTOF; MS2; CE: 10; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

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CH$NAME: 4-Chloro-3-nitroaniline
CH$NAME: DTXSID7052319
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₅ClN₂O₂
CH$EXACT_MASS: 172.0039551289
CH$SMILES: NC1=CC(=C(Cl)C=C1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H5ClN2O2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H,8H2
CH$LINK: CAS 635-22-3
CH$LINK: INCHIKEY FOHHWGVAOVDVLP-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12477

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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 10

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MS$FOCUSED_ION: PRECURSOR_M/Z 170.9966786772
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

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PK$SPLASH: splash10-00dj-5900000000-54d580e836be5bed3af5
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  34.969401 7.615716 76
  45.993452 64.879966 648
  46.017261 1.240133 12
  123.99595 3.275276 32
  140.99869 20.383939 203
  170.996679 99.999999 999
//