Spectrum MoNA024011 for UREIDOPROPIONATE

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
InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
JSJWCHRYRHKBBW-UHFFFAOYSA-N
C4H8N2O3
132.053492116
O=C(O)CCNC(=N)O

Mass Spectral Metadata

NameValue
Flow Injection
Thermo Scientific Orbitrap ID-X
LC-ESI-Orbitrap
ESI
MS2
HCD (NCE 40%)
C4H8N2O3
132.0
132.05348999999998
IROA_DB_for_mona_filtered_exported_addedInfo.msp
positive
2.3275599717409787
0.684335459121019
133.06078999999997
[M+H]+
5.051195021707556 ppm
-6.721160000324744E-4 Da