| SpectraBase Spectrum ID |
9MxlVIMYT9F |
| Name |
Scopolamine-M (nor-HO-ring) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H19NO5 |
| InChI |
InChI=1S/C16H19NO5/c18-7-11(8-2-1-3-9(19)4-8)16(20)21-10-5-12-14-15(22-14)13(6-10)17-12/h1-4,10-15,17-19H,5-7H2/t10?,11?,12-,13+,14?,15? |
| InChIKey |
RJVCAXGMLBKGJA-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1[C@]2(C3OC3[C@@]1(CC(OC(C(C1=CC=CC(=C1)O)CO)=O)C2)[H])[H] |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
