| SpectraBase Spectrum ID |
1jOz9yCHY0 |
| Name |
Dihydroxyphenylacetic acid ME2HFB |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
574.009732254 u |
| Formula |
C17H8F14O6 |
| InChI |
InChI=1S/C17H8F14O6/c1-35-9(32)5-6-2-3-7(36-10(33)12(18,19)14(22,23)16(26,27)28)8(4-6)37-11(34)13(20,21)15(24,25)17(29,30)31/h2-4H,5H2,1H3 |
| InChIKey |
QUYAGMJPQHHCNF-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
574.223 g/mol |
| SMILES |
COC(Cc1cc(c(cc1)OC(C(F)(C(F)(C(F)(F)F)F)F)=O)OC(C(F)(C(C(F)(F)F)(F)F)F)=O)=O |
| SPLASH |
splash10-066r-9402120000-49c880e5586564d3ed5b |
| 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 ME2HFB |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5964 |
