| SpectraBase Spectrum ID |
2iHAN8AR3Gp |
| Name |
Scopolamine-M (-H2O) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 286.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H19NO3 |
| InChI |
InChI=1S/C17H19NO3/c1-10(11-6-4-3-5-7-11)17(19)20-12-8-13-15-16(21-15)14(9-12)18(13)2/h3-7,12-16H,1,8-9H2,2H3/t12?,13-,14+,15?,16? |
| InChIKey |
JJNVDCBKBUSUII-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
CN1[C@@]2(C3OC3[C@]1(CC(C2)OC(C(=C)C=1C=CC=CC1)=O)[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 |
