| SpectraBase Spectrum ID |
6UhIJ7nZvU |
| Name |
Metofenazate-M (dechloro-HO-methoxy-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 594.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C32H39N3O6S |
| InChI |
InChI=1S/C32H39N3O6S/c1-37-24-10-11-26-30(22-24)42-29-9-6-5-8-25(29)35(26)13-7-12-33-14-16-34(17-15-33)18-19-41-32(36)23-20-27(38-2)31(40-4)28(21-23)39-3/h5-6,8-11,20-22H,7,12-19H2,1-4H3 |
| InChIKey |
CHUYWBMWSLTLEM-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
C1=2N(C3=C(SC2C=C(C=C1)OC)C=CC=C3)CCCN1CCN(CC1)CCOC(C1=CC(=C(C(=C1)OC)OC)OC)=O |
| 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 |
ms2 |
| Technique |
ITMS |
