Spectrum KO002092 for N-Acetylornithine

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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/C7H14N2O3/c1-5(10)9-6(7(11)12)3-2-4-8/h6H,2-4,8H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1
JRLGPAXAGHMNOL-LURJTMIESA-N
C7H14N2O3
174.100442308
O=C(O)C(N=C(O)C)CCCN

Mass Spectral Metadata

NameValue
KO002092
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 A032
174.10044
API3000, Applied Biosystems
0.7622981153888783
LC-ESI-QQ
MS2
50 V
positive
0.24311896718424797
175
[M+H]+
619.4989028571334 ppm
-0.10841230799999835 Da