Spectrum MoNA016940 for 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
ODKSFYDXXFIFQN-BYPYZUCNSA-N
C6H14N4O2
174.111675688
O=C(O)C(N)CCCNC(=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

Mass Spectral Metadata

NameValue
C6H14N4O2
-1
0.5320167
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
Aaron Dickey, Lea Rempel, Bob Lee, Sung Bong Shin
MSMS-USMARCStd-Pos-V1b.msp
positive
3.6400697626387335
0.967794759829605
175.1172
[M+H]+
13.966006765723534 ppm
-0.0024456879999945613 Da