| SpectraBase Spectrum ID |
3uFqKPH97q0 |
| Name |
Bisacodyl-M (bis-deacetyl-di-HO-methoxy-) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C12H9NO/c14-12-6-4-10(5-7-12)9-11-3-1-2-8-13-11/h1-9H/p+1 |
| InChIKey |
UZNCUDYIZQWEBH-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=C([CH+]C2=NC=CC=C2)C=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
