| SpectraBase Spectrum ID |
3aKa3aQg5I |
| Name |
3,4-Dihydroxyphenylacetic acid |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
168.042258734 u |
| Formula |
C8H8O4 |
| InChI |
InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12) |
| InChIKey |
CFFZDZCDUFSOFZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
168.148 g/mol |
| SMILES |
c1(c(ccc(c1)CC(=O)O)O)O |
| SPLASH |
splash10-0g4i-9400000000-cd1e6d755f645f2a0308 |
| 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_5754 |
