Spectrum CCMSLIB00003740025 for Arginine

Rating: (*)★(*)★(*)★(*)★(*)☆

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
C6H14N4O2
174.111675688
O=C(O)C(N)CCCN=C(N)N
InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
ODKSFYDXXFIFQN-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
Orbitrap
0.0
1
f.jjwang/standard/Standard_7(2).mzML;
MS2
GNPS-LIBRARY
Jing-Jing Wang, Tie-Jun Ling, jjwang
positive
1.866995403743486
0.5664708174731102
175.119
[M+H]+
3.6871384600851473 ppm
-6.456879999916509E-4 Da