Spectrum PM000927 for L-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
132.05
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
132.05349211599997
O=C(O)C(N)CC(=N)O

Mass Spectral Metadata

NameValue
PM000927
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
22
ESI
positive
authentic sample
[M+H]+
MS2
1.4863069195386696
0.8295236861111811
133
[M+H]+
462.1211729321268 ppm
-0.061462115999972866 Da