Spectrum MoNA016743 for HOMOSERINE

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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
UKAUYVFTDYCKQA-VKHMYHEASA-N
C4H9NO3
119.05824314799999
O=C(O)C(N)CCO
InChI=1S/C4H9NO3/c5-3(1-2-6)4(7)8/h3,6H,1-2,5H2,(H,7,8)/t3-/m0/s1

Mass Spectral Metadata

NameValue
C4H9NO3
-1
0.63915
-1
LC-ESI-QTOF
XEVO-G2S
6V (MS1); Ramp 15V-30V (MSE)
MSMS-USMARCStd-Pos-V1.msp
positive
1.9587074650223688
0.8506558437219214
120.0632
[M+H]+
25.09634925600641 ppm
-0.0030131479999937483 Da