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MassBank Record: MSBNK-EPA-ENTACT_AGILENT001099

3-Hydroxypyridine-2-methanol; ESI-QTOF; MS2; CE: 20; [M-H]-

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

ACCESSION: MSBNK-EPA-ENTACT_AGILENT001099
RECORD_TITLE: 3-Hydroxypyridine-2-methanol; ESI-QTOF; MS2; CE: 20; [M-H]-
DATE: 2023.09.19
AUTHORS: EPA CCTE and Agilent Technologies
LICENSE: CC BY

CH$NAME: 3-Hydroxypyridine-2-methanol
CH$NAME: DTXSID90161811
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C6H7NO2
CH$EXACT_MASS: 125.0476784753
CH$SMILES: OC1C=CC=NC=1CO
CH$IUPAC: InChI=1S/C6H7NO2/c8-4-5-6(9)2-1-3-7-5/h1-3,8-9H,4H2
CH$LINK: CAS 14047-53-1
CH$LINK: INCHIKEY ZJRBRKUGRKKZOO-UHFFFAOYSA-N
CH$LINK: PUBCHEM CID:3084185

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$FOCUSED_ION: PRECURSOR_M/Z 124.0404020236
MS$FOCUSED_ION: PRECURSOR_TYPE [M-H]-
MS$DATA_PROCESSING: WHOLE Agilent ChemVista Version 1.0

PK$SPLASH: splash10-0006-9200000000-f607d447ec32b4921773
PK$NUM_PEAK: 12
PK$PEAK: m/z int. rel.int.
  40.019273 1.061851 10
  41.003288 1.100969 10
  43.018938 1.012468 10
  51.024024 2.213673 22
  52.019273 1.259458 12
  66.034923 17.020653 170
  78.034923 12.871749 128
  81.022012 1.270849 12
  94.029837 99.999997 999
  106.029837 1.504239 15
  122.024752 28.258743 282
  124.040402 4.17394 41
//

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