Spectrum MoNA002237 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
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
CQOVPNPJLQNMDC-ZETCQYMHSA-N
C9H14N4O3
226.10659030799997
O=C(O)C(N=C(O)CCN)CC1=CN=CN1

Mass Spectral Metadata

NameValue
226.10659
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C9H14N4O3
226.10659
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.9617608997561509
0.6021187146736461
227.11383972168
[M+H]+
3.1727979274824025 ppm
-7.205863199715168E-4 Da