MassBank of North America

Spectrum CCMSLIB00005467923 for Uric acid

Rating: ★★★★☆

Originally submitted to the Global Natural Product Social Molecular Networking Library as GNPS

SPLASH:
splash10-0006-2900000000-52879928b66e94cef544
Submitter:
GNPS Team

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.

Kingdom
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Organic compounds
- Superclass
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  Organoheterocyclic compounds
  - Class
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    Imidazopyrimidines
    - Subclass
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      Purines and purine derivatives

Compound Metadata

Name	Value
cas number Create New Query Add to Query	69-93-2
pubmed id Create New Query Add to Query	1175
InChI Create New Query Add to Query	InChI=1S/C5H4N4O3/c10-3-1-2(7-4(11)6-1)8-5(12)9-3/h(H4,6,7,8,9,10,11,12)
molecular formula Create New Query Add to Query	C5H4N4O3
total exact mass Create New Query Add to Query	168.02833998799997
SMILES Create New Query Add to Query	OC=1N=C(O)C=2N=C(O)NC2N1
InChIKey Create New Query Add to Query	LEHOTFFKMJEONL-UHFFFAOYSA-N

Mass Spectral Metadata

Name	Value
ion source Create New Query Add to Query	LC-ESI
compound source Create New Query Add to Query	Lysate
instrument Create New Query Add to Query	Orbitrap
exact mass Create New Query Add to Query	168.028
charge state Create New Query Add to Query	1
source file Create New Query Add to Query	t.199991e6c3ed4a97b56b253e1983b5a4/spectra/specs_ms.mgf;
ms level Create New Query Add to Query	MS2
origin Create New Query Add to Query	GNPS-LIBRARY
author Create New Query Add to Query	julc, Julie Courraud
ionization mode Create New Query Add to Query	positive
spectral entropy Create New Query Add to Query	0.8064081119621223
normalized entropy Create New Query Add to Query	0.4500649366231884
precursor m/z Create New Query Add to Query	169.036
precursor type Create New Query Add to Query	[M+H]+
mass accuracy Create New Query Add to Query	1.8338578762483 ppm
mass error Create New Query Add to Query	-3.0998799996950765E-4 Da