Spectrum KO002671 for 2,3-Diaminopropionate

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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
Non-Natural Product
InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)
PECYZEOJVXMISF-UHFFFAOYSA-N
C3H8N2O2
104.058577496
O=C(O)C(N)CN

Mass Spectral Metadata

NameValue
KO002671
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 D037
104.05858
API3000, Applied Biosystems
LC-ESI-QQ
MS2
50 V
positive
0.0
NaN
105
[M+H]+
633.7856761904602 ppm
-0.06654749599999832 Da