Spectrum CCMSLIB00005464394 for L-DOPA

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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
59-92-7
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
ESI
Commercial
Orbitrap
197.069
-1
MSV000084495/peak/mzXML/GNPS00006_B4_n.mzXML
MS2
GNPS-MSMLS
Dorrestein, mpanitchpakdi, Kelly Weldon
negative
2.376382075028111
0.5985408949192405
196.062
[M-H]-
2.3878569023962015 ppm
4.6816799999760406E-4 Da