| SpectraBase Spectrum ID |
4egMiyl3Zo |
| Name |
Ergometrine TMS |
| Classification |
Alkaloid |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
397.218553783 u |
| Formula |
C22H31N3O2Si |
| InChI |
InChI=1S/C22H31N3O2Si/c1-14(13-27-28(3,4)5)24-22(26)16-9-18-17-7-6-8-19-21(17)15(11-23-19)10-20(18)25(2)12-16/h6-9,11,14,16,20,23H,10,12-13H2,1-5H3,(H,24,26) |
| InChIKey |
QTSNWAJVZBNSJY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
397.594 g/mol |
| Related CAS Registry Number(s) |
60-79-7 |
| SMILES |
c1ccc2c3c1[nH]cc3CC1N(C)CC(C(=O)NC(C)CO[Si](C)(C)C)C=C21 |
| SPLASH |
splash10-05fs-6951000000-732a3fbac90277c7e5a0 |
| 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_8515 |
