ACCESSION: MSBNK-EPA-ENTACT_AGILENT000792
RECORD_TITLE: 2-Nitroaniline; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0002-9200000000-650d8edf16d80e55bff1
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  40.019273 3.320933 33
  41.998537 9.383122 93
  45.993452 99.999998 999
  46.017261 2.253118 22
  46.029837 1.001697 10
  50.003623 10.80817 107
  65.998537 4.499987 44
  89.027098 4.509239 45
  90.034923 5.914241 59
  91.030172 4.207831 42
  91.042748 1.72038 17
  93.034588 2.739675 27
  107.037662 17.624528 176
  108.021678 2.487982 24
  119.025086 1.498194 14
  137.035651 21.288008 212
//