ACCESSION: MSBNK-EPA-ENTACT_AGILENT000376
RECORD_TITLE: 2-Methoxy-5-nitrophenol; ESI-QTOF; MS2; CE: 40; [M-H]-
DATE: 2023.05.02
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 2-Methoxy-5-nitrophenol
CH$NAME: DTXSID0035790
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₇H₇NO₄
CH$EXACT_MASS: 169.0375077199
CH$SMILES: COC1C=CC(=CC=1O)[N+]([O-])=O
CH$IUPAC: InChI=1S/C7H7NO4/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,9H,1H3
CH$LINK: CAS 636-93-1
CH$LINK: INCHIKEY KXKCTSZYNCDFFG-UHFFFAOYSA-N

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 168.0302312682
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0002-9000000000-a9181cf5edc494bc4a72
PK$NUM_PEAK: 11
PK$PEAK: m/z int. rel.int.
  41.003288 9.710286 97
  45.993452 99.999996 999
  46.029837 1.073983 10
  49.008374 1.22403 12
  51.024024 39.173748 391
  52.019273 1.166319 11
  53.003288 4.066396 40
  68.998203 9.901896 98
  79.018938 3.682036 36
  95.013853 22.19001 221
  123.008768 3.39415 33
//