Spectrum MoNA016764 for N-METHYLGLUTAMATE

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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
XLBVNMSMFQMKEY-BYPYZUCNSA-N
C6H11NO4
161.068807832
O=C(O)CCC(NC)C(=O)O
InChI=1S/C6H11NO4/c1-7-4(6(10)11)2-3-5(8)9/h4,7H,2-3H2,1H3,(H,8,9)(H,10,11)/t4-/m0/s1

Mass Spectral Metadata

NameValue
C6H11NO4
-1
0.6605833
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.730714839741876
0.5987862409095859
162.0744
[M+H]+
14.671237407065084 ppm
-0.002377832000007629 Da