| SpectraBase Spectrum ID |
Gs57XUjPIRI |
| Name |
Butylscopolamine artifact (-H2O) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 342.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H28NO3 |
| InChI |
InChI=1S/C21H28NO3/c1-4-5-13-22(3)18-14-17(11-12-19-20(18)25-19)24-21(23)15(2)16-9-7-6-8-10-16/h6-10,12,17-20H,2,4-5,11,13-14H2,1,3H3/q+1/t17?,18-,19?,20?/m1/s1 |
| InChIKey |
JUFNMJMRCUWVSO-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C=C(C(OC1C[CH+]C2OC2[C@@](C1)(N(C)CCCC)[H])=O)C1=CC=CC=C1 |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
