| SpectraBase Spectrum ID |
IybVtC1NxmR |
| Name |
MDPBP-M (demethylenyl-methyl-) isomer 1 MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-205.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H13O3 |
| InChI |
InChI=1S/C11H12O3/c1-3-4-9(12)8-5-6-10(13)11(7-8)14-2/h4-7H,3H2,1-2H3/p+1 |
| InChIKey |
ZHZROCQFOIPEPH-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC(=CC1OC)C([CH+]CC)=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 |
