ACCESSION: MSBNK-EPA-ENTACT_AGILENT001542
RECORD_TITLE: 4-Nitrobenzoic acid; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Nitrobenzoic acid
CH$NAME: DTXSID3020966
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₅NO₄
CH$EXACT_MASS: 167.0218576561
CH$SMILES: [O-][N+](=O)C1C=CC(=CC=1)C(O)=O
CH$IUPAC: InChI=1S/C7H5NO4/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H,9,10)
CH$LINK: CAS 62-23-7
CH$LINK: INCHIKEY OTLNPYWUJOZPPA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6108

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$FOCUSED_ION: PRECURSOR_M/Z 166.0145812044
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-0f9e2c99dc8835003e68
PK$NUM_PEAK: 3
PK$PEAK: m/z int. rel.int.
  45.993452 100.000003 999
  46.029837 1.745486 17
  92.026763 1.178384 11
//