ACCESSION: MSBNK-EPA-ENTACT_AGILENT000377
RECORD_TITLE: 2-Methoxy-5-nitrophenol; ESI-QTOF; MS2; CE: 20; [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 20

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$SPLASH: splash10-0uka-5900000000-4f90b614c8c3c1b966f1
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  39.011448 2.44601 24
  41.998537 3.221536 32
  45.993452 34.924886 348
  51.024024 33.751175 337
  52.019273 1.5272 15
  64.019273 4.154498 41
  79.018938 13.941406 139
  95.013853 32.881401 328
  107.013853 2.253095 22
  109.016927 1.560794 15
  123.008768 88.868179 887
  125.011842 1.480138 14
  153.006756 100.000005 999
//