ACCESSION: MSBNK-EPA-ENTACT_AGILENT000378
RECORD_TITLE: 2-Methoxy-5-nitrophenol; ESI-QTOF; MS2; CE: 10; [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 10

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$SPLASH: splash10-0udi-0900000000-cb24f8ab269cf09070ad
PK$NUM_PEAK: 6
PK$PEAK: m/z int. rel.int.
  45.993452 1.185585 11
  79.018938 1.158496 11
  95.013853 1.301163 12
  123.008768 10.77037 107
  153.006756 100.000003 999
  168.030231 9.520888 95
//