MassBank Record: MSBNK-EPA-ENTACT_AGILENT001099
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
//