ACCESSION: MSBNK-EPA-ENTACT_AGILENT002383
RECORD_TITLE: 4-Nitroanthranilic acid; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Nitroanthranilic acid
CH$NAME: DTXSID8020963
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₆N₂O₄
CH$EXACT_MASS: 182.0327566954
CH$SMILES: NC1C=C(C=CC=1C(O)=O)[N+]([O-])=O
CH$IUPAC: InChI=1S/C7H6N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,8H2,(H,10,11)
CH$LINK: CAS 619-17-0
CH$LINK: INCHIKEY UEALKTCRMBVTFN-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:12076

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$FOCUSED_ION: PRECURSOR_M/Z 181.0254802437
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9500000000-4d57dd8b79e453572b41
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  45.993452 99.999997 999
  46.017261 3.131513 31
  46.029837 1.907064 19
  80.026763 4.153595 41
  107.037662 37.256768 372
  137.035651 28.137799 281
//