ACCESSION: MSBNK-EPA-ENTACT_AGILENT000317
RECORD_TITLE: 4-Methyl-2-nitroaniline; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0zfr-1900000000-0a981afe5a7bb216d406
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  41.998537 1.065633 10
  45.993452 24.107211 240
  53.014522 1.176391 11
  92.026763 1.004264 10
  109.004351 74.512672 744
  109.040736 1.348005 13
  121.053312 11.767451 117
  151.051301 100.000003 999
//