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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001573

4-Hydroxy-3-methoxypyridine; ESI-QTOF; MS2; CE: 40; [M+H]+

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001573
RECORD_TITLE: 4-Hydroxy-3-methoxypyridine; ESI-QTOF; MS2; CE: 40; [M+H]+
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 4-Hydroxy-3-methoxypyridine
CH$NAME: DTXSID80198757
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO2
CH$EXACT_MASS: 125.0476784753
CH$SMILES: COC1C=NC=CC=1O
CH$IUPAC: InChI=1S/C6H7NO2/c1-9-6-4-7-3-2-5(6)8/h2-4H,1H3,(H,7,8)
CH$LINK: CAS 62885-41-0
CH$LINK: INCHIKEY XKECCYGTTKNLOC-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:186643

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 40

MS$FOCUSED_ION: PRECURSOR_M/Z 126.054954927
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-000x-9000000000-8ffaef43d58b56ecf451
PK$NUM_PEAK: 19
PK$PEAK: m/z int. rel.int.
  39.022927 5.922443 59
  41.026001 1.379042 13
  42.010016 3.096407 30
  53.002191 3.382609 33
  54.010016 1.312335 13
  54.033826 41.889524 418
  54.054955 1.523239 15
  55.017841 12.574842 125
  55.041651 5.886855 58
  56.025666 2.366676 23
  57.020915 1.710408 17
  59.036565 1.354008 13
  66.033826 30.633713 306
  67.017841 2.340839 23
  82.02874 3.577384 35
  83.036565 68.830443 687
  94.02874 99.999997 999
  94.065126 1.886805 18
  111.03148 15.979943 159
//

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