| SpectraBase Spectrum ID |
8vCQRQ6WCpF |
| Name |
Butylscopolamine-M (HO-aryl-sulfate) MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [80.00-370.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C21H27NO4/c1-4-5-12-22(3)18-13-17(10-11-19-20(18)26-19)25-21(24)14(2)15-6-8-16(23)9-7-15/h6-9,11,17-20H,2,4-5,10,12-13H2,1,3H3/p+1/t17?,18-,19?,20?/m1/s1 |
| InChIKey |
VNNXSKLRVSORED-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC(C(=C)C(OC2C[CH+]C3OC3[C@@](C2)(N(C)CCCC)[H])=O)=CC1 |
| 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 |
ms3 |
| Technique |
ITMS |
