| SpectraBase Spectrum ID |
BAbfr0X3zqu |
| Name |
Elemicin-M (O-demethyl-) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [50.00-210.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H14O3 |
| InChI |
InChI=1S/C11H14O3/c1-4-5-8-6-9(12)11(14-3)10(7-8)13-2/h4,6-7,12H,1,5H2,2-3H3 |
| InChIKey |
WIGZLFBLFZYGEE-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC(CC=C)=CC(=C1OC)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 |
ms2 |
| Technique |
ITMS |
