ACCESSION: MSBNK-EPA-ENTACT_AGILENT001563
RECORD_TITLE: 2-Methoxy-4-nitroaniline; ESI-QTOF; MS2; CE: 10; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Methoxy-4-nitroaniline
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₈N₂O₃
CH$EXACT_MASS: 168.0534921369
CH$SMILES: COC1=CC(=CC=C1N)[N+]([O-])=O
CH$IUPAC: InChI=1S/C7H8N2O3/c1-12-7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
CH$LINK: CAS 97-52-9
CH$LINK: INCHIKEY GVBHRNIWBGTNQA-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:7337

AC$INSTRUMENT: N/A
AC$INSTRUMENT_TYPE: ESI-QTOF
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION ESI
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 10

MS$FOCUSED_ION: PRECURSOR_M/Z 169.0607685886
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0udi-0900000000-6922e3877c7adb0e5add
PK$NUM_PEAK: 7
PK$PEAK: m/z int. rel.int.
  81.020915 3.755606 37
  81.065854 1.77346 17
  122.06004 12.042651 120
  123.067865 7.474722 74
  139.06278 1.291624 12
  152.058029 100.000003 999
  169.060769 45.722696 456
//