| SpectraBase Spectrum ID |
E7JYYZEE9rn |
| Name |
Bisacodyl-M (bis-deacetyl-di-HO-methoxy-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [55.00-255.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H19NO4 |
| InChI |
InChI=1S/C20H19NO4/c1-24-19-15(10-11-17(23)20(19)25-2)18(16-5-3-4-12-21-16)13-6-8-14(22)9-7-13/h3-12,18,22-23H,1-2H3 |
| InChIKey |
NLBMPGPJTOFWBK-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=C(C(C2=CC=C(C=C2)O)C2=NC=CC=C2)C(=C1OC)OC |
| 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 |
