ACCESSION: MSBNK-EPA-ENTACT_AGILENT000316
RECORD_TITLE: 4-Methyl-2-nitroaniline; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Methyl-2-nitroaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈N₂O₂
CH$EXACT_MASS: 152.0585775146
CH$SMILES: CC1=CC(=C(N)C=C1)[N+]([O-])=O
CH$IUPAC: InChI=1S/C7H8N2O2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,8H2,1H3
CH$LINK: CAS 89-62-3
CH$LINK: INCHIKEY DLURHXYXQYMPLT-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:6978

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$FOCUSED_ION: PRECURSOR_M/Z 151.0513010629
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9300000000-735a04c6082e98d5b398
PK$NUM_PEAK: 16
PK$PEAK: m/z int. rel.int.
  41.998537 1.932389 19
  45.993452 100.000003 999
  46.017261 1.977937 19
  68.998203 1.567968 15
  78.034923 1.485214 14
  80.001611 1.263713 12
  92.026763 4.054184 40
  103.042748 3.18036 31
  104.050573 4.642786 46
  107.996526 1.665952 16
  108.021678 1.105122 11
  109.004351 11.854094 118
  120.045487 2.145367 21
  121.029503 1.088222 10
  121.053312 10.623952 106
  151.051301 11.987693 119
//