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Methyldopa artifact 2AC
SpectraBase Compound ID BAh4LBs4ruR
InChI InChI=1S/C16H17NO6/c1-9-17-16(4,15(20)21-9)8-12-5-6-13(22-10(2)18)14(7-12)23-11(3)19/h5-7H,8H2,1-4H3
InChIKey SJZLTVGAGBDIMG-UHFFFAOYSA-N
Mol Weight 319.31 g/mol
Molecular Formula C16H17NO6
Exact Mass 319.105587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FTX4pENk5QQ
Name Methyldopa artifact 2AC
Classification Antihypertensive
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Exact Mass 319.105587265 u
Formula C16H17NO6
InChI InChI=1S/C16H17NO6/c1-9-17-16(4,15(20)21-9)8-12-5-6-13(22-10(2)18)14(7-12)23-11(3)19/h5-7H,8H2,1-4H3
InChIKey SJZLTVGAGBDIMG-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 319.313 g/mol
SMILES CC(Oc1ccc(cc1OC(=O)C)CC1(N=C(OC1=O)C)C)=O
SPLASH splash10-00di-3900000000-4b48d051577a3317df14
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
Synonyms Methyldopa artifact (acetic acid adduct -2H2O) 2AC
Technique GC/MS
Wiley ID MMPW6e_5122