Spectrum KO003308 for Lysinamide

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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/C6H15N3O/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H2,9,10)/t5-/m0/s1
HKXLAGBDJVHRQG-YFKPBYRVSA-N
C6H15N3O
145.12151210000002
N=C(O)C(N)CCCCN

Mass Spectral Metadata

NameValue
KO003308
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 L027
145.12151
API3000, Applied Biosystems
LC-ESI-QQ
MS2
20 V
positive
1.5214673226432527
0.4616330797002664
146
[M+H]+
886.8636986302628 ppm
-0.12948210000001836 Da