Spectrum KO002924 for D-Gln

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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/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m1/s1
ZDXPYRJPNDTMRX-GSVOUGTGSA-N
C5H10N2O3
146.06914218
O=C(O)C(N)CCC(=N)O

Mass Spectral Metadata

NameValue
KO002924
2016.01.19 (Created 2007.07.07, modified 2011.05.10)
Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
CC BY-NC-SA
KEIO_ID G006
146.06914
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
positive
0.3037273804382054
0.09686746634555696
147
[M+H]+
524.5726530612266 ppm
-0.07711218000000031 Da