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Methyldopa
SpectraBase Compound ID A2ri9Jajeyo
InChI InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)
InChIKey CJCSPKMFHVPWAR-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C10H13NO4
Exact Mass 211.084458 g/mol

Mass Spectrum (LC)

Mass Spectrum (LC)

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SpectraBase Spectrum ID 7UIoaavkBc
Name Methyldopa MS2
Comments F: ITMS + c ESI d w Full ms2 212.10
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Formula C10H13NO4
InChI InChI=1S/C10H13NO4/c1-10(11,9(14)15)5-6-2-3-7(12)8(13)4-6/h2-4,12-13H,5,11H2,1H3,(H,14,15)
InChIKey CJCSPKMFHVPWAR-UHFFFAOYSA-N
Ion Polarity P
Ionization Type ESI
SMILES OC(C(CC1=CC(=C(C=C1)O)O)(N)C)=O
Sample Comments The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database.
Sample Description Analyte Type: Parent
Source of Spectrum Maurer/Wissenbach/Weber, Saarland University
Spectrum Type ms2
Technique ITMS