Spectrum PM000926 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
132.09
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
PM000926
Piraud M, et al.
Copyright(C) 2012 Plant Science Center, RIKEN
MeOH/H2O
QqQ
API 2000
22
ESI
positive
authentic sample
[M+H]+
MS2
0.6688570623740269
0.9649567669505686
133
[M+H]+
735.6964210526043 ppm
-0.09784762399999636 Da