Spectrum KO001539 for L-5-Oxoproline

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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/C5H7NO3/c7-4-2-1-3(6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)/t3-/m0/s1
ODHCTXKNWHHXJC-VKHMYHEASA-N
C5H7NO3
129.042593084
O=C(O)C1N=C(O)CC1

Mass Spectral Metadata

NameValue
KO001539
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 O008
129.04259
API3000, Applied Biosystems
LC-ESI-QQ
MS2
50 V
negative
0.5824922424817024
0.8403586695846437
128
[M-H]-
275.9147187501032 ppm
-0.03531708400001321 Da