Spectrum MoNA016845 for CARNOSINE

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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
CQOVPNPJLQNMDC-ZETCQYMHSA-N
C9H14N4O3
226.106590308
O=C(O)C(N=C(O)CCN)CC1=CN=CN1
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1

Mass Spectral Metadata

NameValue
C9H14N4O3
-1
0.5320167
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.0379243451593578
0.5792766065896823
249.0921
[M+Na]+
17.1033445059045 ppm
-0.004260307999999213 Da