| SpectraBase Spectrum ID |
5NeFfagFT0q |
| Name |
Ergometrine artifact (-COOH) (ME) |
| Classification |
Alkaloid |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
282.136827826 u |
| Formula |
C17H18N2O2 |
| InChI |
InChI=1S/C17H18N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-6,8,11,15,18H,7,9H2,1-2H3 |
| InChIKey |
RNHDWLRHUJZABX-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
282.343 g/mol |
| SMILES |
c1c2[nH]cc3CC4N(CC(C(=O)OC)C=C4c(cc1)c23)C |
| SPLASH |
splash10-0ue9-3930000000-04d6c2f31a5a016fd79e |
| 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_8513 |
