Spectrum KO002357 for Ne-Acetyllysine

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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/C8H16N2O3/c1-6(11)10-5-3-2-4-7(9)8(12)13/h7H,2-5,9H2,1H3,(H,10,11)(H,12,13)/t7-/m0/s1
DTERQYGMUDWYAZ-ZETCQYMHSA-N
C8H16N2O3
188.11609237199997
O=C(O)C(N)CCCCN=C(O)C

Mass Spectral Metadata

NameValue
KO002357
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 A174
188.11609
API3000, Applied Biosystems
LC-ESI-QQ
MS2
50 V
positive
0.7217453213939058
0.2734860335524152
189
[M+H]+
656.4146666665024 ppm
-0.12406237199996895 Da