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Dihydroxyphenylacetic acid ME2AC
SpectraBase Compound ID CoUKNFSPehL
InChI InChI=1S/C13H14O6/c1-8(14)18-11-5-4-10(7-13(16)17-3)6-12(11)19-9(2)15/h4-6H,7H2,1-3H3
InChIKey AUDYUOBTVAKTHH-UHFFFAOYSA-N
Mol Weight 266.25 g/mol
Molecular Formula C13H14O6
Exact Mass 266.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7iTJxWBwu
Name Dihydroxyphenylacetic acid ME2AC
Classification Biomolecule
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Exact Mass 266.079038165 u
Formula C13H14O6
InChI InChI=1S/C13H14O6/c1-8(14)18-11-5-4-10(7-13(16)17-3)6-12(11)19-9(2)15/h4-6H,7H2,1-3H3
InChIKey AUDYUOBTVAKTHH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 266.249 g/mol
SMILES COC(Cc1cc(c(cc1)OC(C)=O)OC(C)=O)=O
SPLASH splash10-0089-3900000000-47f195e08ccef8ffc536
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 3,4-Dihydroxyphenylacetic acid ME2AC
Technique GC/MS
Wiley ID MMPW6e_5960