Spectrum MoNA002029 for N-ACETYL-DL-GLUTAMIC 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
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C7H11NO5
189.06372
189.06372
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.4593495557031184
0.5872854643564267
190.071032714844
[M+H]+
3.4710031643963566 ppm
-6.59737156013307E-4 Da