| SpectraBase Spectrum ID |
D8AC8NvRWcI |
| Name |
Chavicine-M (demethylenyl-sulfate) isomer 2 MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-200.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C11H8O3/c12-7-3-1-2-4-9-5-6-10(13)11(14)8-9/h1-6,8H,(H-,12,13,14)/p+1 |
| InChIKey |
HGCFCOPCUMTFCA-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(C=CC1O)\C=C/C=C/[C+]=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 |
ms3 |
| Technique |
ITMS |
