| SpectraBase Spectrum ID |
EqlQpSKrvWR |
| Name |
Ergometrine -H2O |
| Classification |
Alkaloid |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
307.168462307 u |
| Formula |
C19H21N3O |
| InChI |
InChI=1S/C19H21N3O/c1-11(2)21-19(23)13-7-15-14-5-4-6-16-18(14)12(9-20-16)8-17(15)22(3)10-13/h4-7,9,13,17,20H,1,8,10H2,2-3H3,(H,21,23) |
| InChIKey |
GCKZHHVGLQOFKN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
307.397 g/mol |
| SMILES |
c1ccc2c3c1[nH]cc3CC1N(CC(C(NC(C)=C)=O)C=C21)C |
| SPLASH |
splash10-074i-3950000000-2e7286fe2e68f432ecda |
| 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_8512 |
