Spectrum CCMSLIB00000577958 for L-ARGININE

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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
1119-34-2
6322
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)/t4-/m0/s1
ODKSFYDXXFIFQN-BYPYZUCNSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial standard
Q-Exactive Plus
174.112
0
IROA_PLATE_pos_2_E.mzXML
MS2
GNPS-EMBL-MCF
Alexandrov Theodore, pphapale, Prasad
positive
2.0225321705506256
0.5344690320015587
175.12
[M+H]+
2.023252626845157 ppm
3.543120000131239E-4 Da