Spectrum CCMSLIB00005720595 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
5961
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
qTof
146.069
1
IROATECH_MSMLS_SCIEX_5600_TripleTOF.mgf
MS2
PSU-MSMLS
Andrew D. Patterson, mpanitchpakdi, Philip Smith
positive
1.8638932091930462
0.6882786768260125
147.077
[M+H]+
0.7627297264270074 ppm
-1.1217999997370498E-4 Da