Spectrum VF-NPL-QEHF027685 for LEVODOPA

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1
C9H11NO4
197.068807832
O=C(O)C(N)CC1=CC=C(O)C(O)=C1
WTDRDQBEARUVNC-LURJTMIESA-N

Mass Spectral Metadata

NameValue
35HCD
NP_UC_2672_p9_H05_4.raw
12
positive
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
3.4784844886529873
0.6070547844540091
220.0580291748047
[M+Na]+
2.49323870329727 ppm
-5.486571953099428E-4 Da