| SpectraBase Spectrum ID |
69q5Srur7g |
| Name |
Pyranocoumarin-M (HO-ring) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-280.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C16H10O4/c17-11-6-7-14-12(9-11)15(18)13(16(19)20-14)8-10-4-2-1-3-5-10/h1-9H,(H-,17,18,19)/p+1 |
| InChIKey |
BTFQXMXWSMPLST-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC2=C(OC(C(=C2O)[CH+]C2=CC=CC=C2)=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 |
ms3 |
| Technique |
ITMS |
