ACCESSION: MSBNK-EPA-ENTACT_AGILENT001564
RECORD_TITLE: 2-Methoxy-4-nitroaniline; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0fk9-3900000000-064890c07e0285b509ac
PK$NUM_PEAK: 27
PK$PEAK: m/z int. rel.int.
  43.017841 1.074478 10
  53.038577 1.943494 19
  63.994366 1.24121 12
  64.015495 1.627337 16
  65.038577 1.870302 18
  67.054227 6.614824 66
  68.997106 1.296453 12
  76.002919 1.195664 11
  77.038577 20.605419 205
  79.017841 1.123873 11
  81.020915 5.012385 50
  81.069877 1.582309 15
  90.033826 2.400703 23
  91.017841 1.473507 14
  91.041651 1.024347 10
  92.049476 6.669976 66
  93.057301 3.166148 31
  93.069877 1.48008 14
  94.065126 5.679528 56
  107.036565 1.33686 13
  108.04439 1.451357 14
  111.00767 1.262508 12
  122.06004 100.000002 999
  123.067865 1.071097 10
  137.034554 1.107393 11
  141.054621 1.451673 14
  152.058029 50.577922 505
//