Spectrum CCMSLIB00005464116 for N-METHYLGLUTAMATE

Rating: (*)★(*)★(*)★(*)☆( )☆

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
6753-62-4
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)
C6H11NO4
161.068807832
O=C(O)CCC(NC)C(=O)O
XLBVNMSMFQMKEY-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
161.069
1
MSV000084479/peak/mzXML/GNPS00005_B3_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
1.8013703714200258
0.43647000639169753
144.065
[M-H2O+H]+
24.726116683455214 ppm
0.003562168000001975 Da