Spectrum VF-NPL-QEHF027684 for LEVODOPA

Rating: (*)★(*)★(*)★(*)★(*)☆
  • 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
65HCD
NP_UC_2672_p9_H05_9.raw
13
negative
ESI-QFT
Thermo Q Exactive HF
Arpana Vaniya
MS2
direct injection
2.365841990463569
0.4727952391600574
196.0615234375
[M-H]-
0.04281564208540567 ppm
-8.394500014219375E-6 Da