| SpectraBase Spectrum ID |
45MT7hHspEI |
| Name |
Ergometrine AC |
| Classification |
Alkaloid |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
367.189591674 u |
| Formula |
C21H25N3O3 |
| InChI |
InChI=1S/C21H25N3O3/c1-12(11-27-13(2)25)23-21(26)15-7-17-16-5-4-6-18-20(16)14(9-22-18)8-19(17)24(3)10-15/h4-7,9,12,15,19,22H,8,10-11H2,1-3H3,(H,23,26) |
| InChIKey |
IASWXEUISLDWRL-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
367.449 g/mol |
| SMILES |
c1ccc2c3c1[nH]cc3CC1N(CC(C(=O)NC(C)COC(C)=O)C=C21)C |
| SPLASH |
splash10-00di-3961000000-4276859a57be79e6ad69 |
| 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_8514 |
