Spectrum CCMSLIB00005464021 for GLUTAMINE

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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
56-85-9
InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
C5H10N2O3
146.06914217999997
O=C(O)C(N)CCC(=N)O
ZDXPYRJPNDTMRX-VKHMYHEASA-N

Mass Spectral Metadata

NameValue
ESI
Commercial
Orbitrap
146.069
1
MSV000084493/peak/mzXML/GNPS00004_F11_p.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
positive
1.60800011639261
0.45988749863254813
147.076
[M+H]+
7.561940765172291 ppm
-0.0011121799999784798 Da