| SpectraBase Spectrum ID |
40KFZKb7xY |
| Name |
3-O-Methyl-dopamine 2HFB |
| Classification |
Biomolecule |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
559.046452116 u |
| Formula |
C17H11NO4F14 |
| InChI |
InChI=1S/C17H11F14NO4/c1-35-9-6-7(4-5-32-10(33)12(18,19)14(22,23)16(26,27)28)2-3-8(9)36-11(34)13(20,21)15(24,25)17(29,30)31/h2-3,6H,4-5H2,1H3,(H,32,33) |
| InChIKey |
RUMSYHFENNGHKU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
559.256 g/mol |
| SMILES |
c1(cc(c(OC(C(F)(F)C(F)(F)C(F)(F)F)=O)cc1)OC)CCNC(C(F)(F)C(F)(F)C(F)(F)F)=O |
| SPLASH |
splash10-0002-2917000000-8391f554b58cba413056 |
| 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_1645 |
