| SpectraBase Spectrum ID |
r0PRiuPcZi |
| Name |
Buflomedil-M (O-demethyl-glucuronide) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H23NO4 |
| InChI |
InChI=1S/C16H23NO4/c1-20-12-10-14(19)16(15(11-12)21-2)13(18)6-5-9-17-7-3-4-8-17/h10-11,19H,3-9H2,1-2H3 |
| InChIKey |
CSRSHQICCMIBML-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C(CCCN2CCCC2)=O)C(=CC(=C1)OC)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 |
