Spectrum MoNA002091 for CIS-4-HYDROXY-D-PROLINE

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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
C5H9NO3
InChI=1S/C5H9NO3/c7-3-1-4(5(8)9)6-2-3/h3-4,6-7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
PMMYEEVYMWASQN-IMJSIDKUSA-N
131.05824314799997
O=C(O)C1NCC(O)C1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent QTOF 6550
20
C5H9NO3
131.05824
131.05824
qtof_library_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.3344845510175325
0.4383231125126504
132.066119384766
[M+H]+
0.709971901950454 ppm
-9.376323396281805E-5 Da