MassBank of North America

Spectrum CCMSLIB00005463996 for GUANINE

Rating: ★★★★☆

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

SPLASH:
splash10-001i-1900000000-29eaa4b5dee8bbd1518d
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	73-40-5
InChI Create New Query Add to Query	InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11)
molecular formula Create New Query Add to Query	C5H5N5O
total exact mass Create New Query Add to Query	151.04940978000002
SMILES Create New Query Add to Query	N=C1N=C(O)C=2N=CNC2N1
InChIKey Create New Query Add to Query	UYTPUPDQBNUYGX-UHFFFAOYSA-N

Mass Spectral Metadata

Name	Value
ion source Create New Query Add to Query	ESI
compound source Create New Query Add to Query	Commercial
instrument Create New Query Add to Query	Orbitrap
exact mass Create New Query Add to Query	151.049
charge state Create New Query Add to Query	-1
source file Create New Query Add to Query	MSV000084493/peak/mzXML/GNPS00004_H2_n.mzXML
ms level Create New Query Add to Query	MS2
origin Create New Query Add to Query	GNPS-MSMLS
author Create New Query Add to Query	Dorrestein, mpanitchpakdi, Kelly Weldon
ionization mode Create New Query Add to Query	negative
spectral entropy Create New Query Add to Query	2.486845657737857
normalized entropy Create New Query Add to Query	0.6836527159881525
precursor m/z Create New Query Add to Query	150.042
precursor type Create New Query Add to Query	[M-H]-
mass accuracy Create New Query Add to Query	0.8916170140838746 ppm
mass error Create New Query Add to Query	-1.3378000002717272E-4 Da