Spectrum MoNA011185 for N-Acetylglutamic acid

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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/C7H11NO5/c1-4(9)8-5(7(12)13)2-3-6(10)11/h5H,2-3H2,1H3,(H,8,9)(H,10,11)(H,12,13)/t5-/m0/s1
RFMMMVDNIPUKGG-YFKPBYRVSA-N
C7H11NO5
189.063722452
O=C(O)CCC(N=C(O)C)C(=O)O

Mass Spectral Metadata

NameValue
30
MS2
DDA
PMID 28641411
Agilent 6550 iFunnel
Q-TOF
CC-BY
KI_HILIC V0.99f.msp.txt
AIF
0.39557018291206064
0.5706871412107701
190.070999145508
[M+H]+
3.6476184957891657 ppm
-6.933064919962817E-4 Da