Spectrum CCMSLIB00005464106 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
3184-13-2
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
C5H12N2O2
132.089877624
O=C(O)C(N)CCCN
AHLPHDHHMVZTML-BYPYZUCNSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
132.09
-1
MSV000084493/peak/mzXML/GNPS00004_D4_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
1.8861093772692505
0.5601258316756882
131.083
[M-H]-
3.0391126232432515 ppm
3.983759999925951E-4 Da