Spectrum KO002675 for 2,4-Diaminobutyrate

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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/C4H10N2O2/c5-2-1-3(6)4(7)8/h3H,1-2,5-6H2,(H,7,8)/t3-/m0/s1
OGNSCSPNOLGXSM-VKHMYHEASA-N
C4H10N2O2
118.07422756
O=C(O)C(N)CCN

Mass Spectral Metadata

NameValue
KO002675
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 D038
118.07423
API3000, Applied Biosystems
LC-ESI-QQ
MS2
40 V
positive
1.1360586615174246
0.5463287323767141
119
[M+H]+
690.7357983193053 ppm
-0.08219755999999734 Da