| SpectraBase Spectrum ID |
pn6LGhWRsY |
| Name |
Butylscopolamine-M (HO-aryl) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 376.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H30NO5 |
| InChI |
InChI=1S/C21H29NO5/c1-3-4-9-22(2)17-10-15(11-18(22)20-19(17)27-20)26-21(25)16(12-23)13-5-7-14(24)8-6-13/h5-8,15-20,23H,3-4,9-12H2,1-2H3/p+1/t15?,16?,17-,18+,19?,20?,22- |
| InChIKey |
JCRKUONXUXUOQJ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OCC(C1=CC=C(C=C1)O)C(OC1C[C@@]2([N@+](C)([C@@](C3C2O3)(C1)[H])CCCC)[H])=O |
| 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 |
