| SpectraBase Spectrum ID |
FwzWTKIuVJ |
| Name |
Doripenem -H2O 2TMS |
| Classification |
Antibiotic |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
546.182215753 u |
| Formula |
C21H38N4O5S2Si2 |
| InChI |
InChI=1S/C21H38N4O5S2Si2/c1-9-16-17-13(2)19(18(25(17)20(16)26)21(27)30-34(6,7)8)31-15-10-14(11-23-32(22,28)29)24(12-15)33(3,4)5/h9,13-17,23H,1,10-12H2,2-8H3,(H2,22,28,29) |
| InChIKey |
AQNUIOCWGFARBK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
546.848 g/mol |
| SMILES |
C1(SC2=C(N3C(C2C)C(C3=O)C=C)C(=O)O[Si](C)(C)C)CN([Si](C)(C)C)C(CNS(N)(=O)=O)C1 |
| SPLASH |
splash10-006x-4911000000-95dd99484a73613cfb4e |
| 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_9425 |
