| SpectraBase Spectrum ID |
AUZRqsWgwi |
| Name |
Pyranocoumarin-M (O-demethyl-HO-ring) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 325.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C19H16O5 |
| InChI |
InChI=1S/C19H16O5/c1-19(22)10-14(11-5-3-2-4-6-11)16-17(24-19)13-9-12(20)7-8-15(13)23-18(16)21/h2-9,14,20,22H,10H2,1H3 |
| InChIKey |
WRWVSFNBNQJSTQ-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC2=C(OC(C3=C2OC(CC3C2=CC=CC=C2)(O)C)=O)C=C1 |
| 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 |
