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Levodopa 3ME
SpectraBase Compound ID 9WVHwMmVpUc
InChI InChI=1S/C12H17NO4/c1-15-10-5-4-8(7-11(10)16-2)6-9(13)12(14)17-3/h4-5,7,9H,6,13H2,1-3H3
InChIKey QEFNXZBBJAALIT-UHFFFAOYSA-N
Mol Weight 239.27 g/mol
Molecular Formula C12H17NO4
Exact Mass 239.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnDL3ias2aU
Name Levodopa 3ME
Classification Antiparkinsonian
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Exact Mass 239.115758027 u
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-15-10-5-4-8(7-11(10)16-2)6-9(13)12(14)17-3/h4-5,7,9H,6,13H2,1-3H3
InChIKey QEFNXZBBJAALIT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.271 g/mol
Related CAS Registry Number(s) 59-92-7
SMILES c1c(CC(C(OC)=O)N)cc(c(c1)OC)OC
SPLASH splash10-0udi-1900000000-b921e0d9f53fdba7798f
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: UME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_2903