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4-Hydroxy-3-methoxy-phenylacetic acid
SpectraBase Compound ID 9pQuAnTm0tA
InChI InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey QRMZSPFSDQBLIX-UHFFFAOYSA-N
Mol Weight 182.17 g/mol
Molecular Formula C9H10O4
Exact Mass 182.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fp0h37Y1dEF
Name Homovanillic acid @
CAS Registry Number 306-08-1
Classification Biomolecule Antiparkinsonian
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Exact Mass 182.057908798 u
Formula C9H10O4
InChI InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey QRMZSPFSDQBLIX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 182.175 g/mol
SMILES c1cc(c(cc1CC(O)=O)OC)O
SPLASH splash10-000i-1900000000-8f44d8b25c33feb6cb26
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: U
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Levodopa-M (homovanillic acid) Phenylethanol-M (homovanillic acid)
Technique GC/MS
Wiley ID MMPW6e_3368