Spectrum KO001532 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
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
132.089877624
O=C(O)C(N)CCCN

Mass Spectral Metadata

NameValue
KO001532
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
10 V
negative
0.23527069877661233
0.10217676623220487
131
[M-H]-
630.5467480916474 ppm
-0.08260162400000581 Da