| SpectraBase Spectrum ID |
A0qCxhpz8rv |
| Name |
Melatonin 2TFA |
| Classification |
Sedative |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
424.085775913 u |
| Formula |
C17H14F6N2O4 |
| InChI |
InChI=1S/C17H14F6N2O4/c1-9(26)24(14(27)16(18,19)20)6-5-10-8-25(15(28)17(21,22)23)13-4-3-11(29-2)7-12(10)13/h3-4,7-8H,5-6H2,1-2H3 |
| InChIKey |
OBGMYDIQXWZJOO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
424.299 g/mol |
| SMILES |
c1(cc2c(cc1)[n](cc2CCN(C(C(F)(F)F)=O)C(=O)C)C(=O)C(F)(F)F)OC |
| SPLASH |
splash10-066r-3890000000-3769a61945230940e729 |
| 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_5915 |
