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Methyldopa 2ME
SpectraBase Compound ID JSdFm0kRa8A
InChI InChI=1S/C12H17NO4/c1-12(13,11(15)17-3)7-8-4-5-9(14)10(6-8)16-2/h4-6,14H,7,13H2,1-3H3
InChIKey XPDPQUGQCOHVQQ-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 JT4FlXjufx9
Name Methyldopa 2ME
Classification Antihypertensive
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Exact Mass 239.115758027 u
Formula C12H17NO4
InChI InChI=1S/C12H17NO4/c1-12(13,11(15)17-3)7-8-4-5-9(14)10(6-8)16-2/h4-6,14H,7,13H2,1-3H3
InChIKey XPDPQUGQCOHVQQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 239.271 g/mol
Related CAS Registry Number(s) 555-30-6
SMILES C(C(=O)OC)(Cc1cc(OC)c(cc1)O)(N)C
SPLASH splash10-0udi-4900000000-81641429a131b9e6b4f9
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.
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_5114