| SpectraBase Spectrum ID |
2KkyvMsiPLZ |
| Name |
Verapamil-M (bis-O-demethyl-HO-glucuronide) isomer 1 MS3_2 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [105.00-440.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C25H32N2O4/c1-18(2)25(17-26,20-8-9-21(28)22(29)16-20)12-6-13-27(3)14-11-19-7-10-23(30-4)24(15-19)31-5/h7-9,11,14-16,18H,6,10,12-13H2,1-5H3,(H-,28,29)/p+1/b14-11+ |
| InChIKey |
WLPFSRXMVPBKOW-SDNWHVSQSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC(=CC1O)C(CCCN(\C=C\C=1C=C([C+](CC1)OC)OC)C)(C(C)C)C#N |
| 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 |
