Spectrum MoNA010940 for Asparagine

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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/C4H8N2O3/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H2,6,7)(H,8,9)/t2-/m0/s1
DCXYFEDJOCDNAF-REOHCLBHSA-N
C4H8N2O3
132.053492116
O=C(O)C(N)CC(=N)O

Mass Spectral Metadata

NameValue
MS2
30
DDA
PMID 28641411
Agilent 6550 iFunnel
Q-TOF
CC-BY
KI_HILIC V0.99f.msp.txt
AIF
0.9779621055595713
0.6076420208596365
133.060775756836
[M+H]+
5.158238106632132 ppm
-6.863591640069444E-4 Da