| SpectraBase Spectrum ID |
6RijCL0PNiq |
| Name |
Dihydroxyphenylacetic acid ME2TFA |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
374.022506950 u |
| Formula |
C13H8F6O6 |
| InChI |
InChI=1S/C13H8F6O6/c1-23-9(20)5-6-2-3-7(24-10(21)12(14,15)16)8(4-6)25-11(22)13(17,18)19/h2-4H,5H2,1H3 |
| InChIKey |
PUWAMYRSSMUUBH-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
374.191 g/mol |
| SMILES |
COC(Cc1cc(c(cc1)OC(C(F)(F)F)=O)OC(C(F)(F)F)=O)=O |
| SPLASH |
splash10-066r-9232000000-02cbd817c97cdc6b35a5 |
| 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 ME2TFA |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5961 |
