Spectrum PT207643 for 3-Hydroxypyridine

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
Pyridine
95.1
C5H5NO
95.03711378
OC=1C=NC=CC1
InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
GRFNBEZIAWKNCO-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
PT207643
Matsuda F, Suzuki M, Sawada Y, Plant Science Center, RIKEN.
Copyright(C) 2009 Plant Science Center, RIKEN
Q-Tof Premier, Waters
LC-Q-TOF/MS
ESI
120 C
Q
Q
LOW-ENERGY CID
30 V
TOF
Continuum
CH3CN/H2O
3.0 kV
35.0 V
[M-H]-
MS2
negative
0.0
NaN
94.02931
[M-H]-
5.612930691491371 ppm
-5.277799999987565E-4 Da