Spectrum KO003634 for L-Ornithine

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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
132.089877624
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
AHLPHDHHMVZTML-BYPYZUCNSA-N
C5H12N2O2
O=C(O)C(N)CCCN

Mass Spectral Metadata

NameValue
KO003634
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 O003
132.08988
API3000, Applied Biosystems
LC-ESI-QQ
MS2
30 V
positive
0.22019025191244052
0.08130951627958018
133
[M+H]+
735.6964210526043 ppm
-0.09784762399999636 Da