Spectrum KO001740 for Quisqualate

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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/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1
ASNFTDCKZKHJSW-REOHCLBHSA-N
C5H7N3O5
189.038570324
O=C1N=C(O)N(O1)CC(N)C(=O)O

Mass Spectral Metadata

NameValue
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 Q003
189.03857
API3000, Applied Biosystems
LC-ESI-QQ
MS2
10 V
negative
0.9247660062880056
0.4752357177113006
KO001740
188
[M-H]-
166.4591702128468 ppm
-0.031294324000015195 Da