ACCESSION: MSBNK-EPA-ENTACT_AGILENT000790
RECORD_TITLE: 2-Nitroaniline; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Nitroaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₆H₆N₂O₂
CH$EXACT_MASS: 138.0429274508
CH$SMILES: NC1=CC=CC=C1[N+]([O-])=O
CH$IUPAC: InChI=1S/C6H6N2O2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H,7H2
CH$LINK: CAS 88-74-4
CH$LINK: INCHIKEY DPJCXCZTLWNFOH-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6946

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$FOCUSED_ION: PRECURSOR_M/Z 137.0356509991
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-72db2627d6043170c316
PK$NUM_PEAK: 9
PK$PEAK: m/z int. rel.int.
  40.019273 1.655522 16
  41.998537 4.115096 41
  45.993452 99.999997 999
  46.017261 2.068062 20
  50.003623 7.518791 75
  65.039674 1.359999 13
  65.998537 3.418237 34
  88.019273 1.919209 19
  90.034923 3.75473 37
//