| SpectraBase Spectrum ID |
ITzKEVPdoYM |
| Name |
Dihydroxyphenylacetic acid ME2PFP |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
474.016119602 u |
| Formula |
C15H8F10O6 |
| InChI |
InChI=1S/C15H8F10O6/c1-29-9(26)5-6-2-3-7(30-10(27)12(16,17)14(20,21)22)8(4-6)31-11(28)13(18,19)15(23,24)25/h2-4H,5H2,1H3 |
| InChIKey |
BZUPLXRZNYDNRZ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
474.207 g/mol |
| SMILES |
COC(Cc1cc(c(cc1)OC(C(F)(C(F)(F)F)F)=O)OC(C(F)(C(F)(F)F)F)=O)=O |
| SPLASH |
splash10-066r-9522300000-675da18cdd0eac22b9a8 |
| 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 ME2PFP |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_5962 |
