| SpectraBase Spectrum ID |
JnpV7J4b9wm |
| Name |
Pyranocoumarin MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [70.00-305.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C19H15O3/c1-12-11-15(13-7-3-2-4-8-13)17-18(21-12)14-9-5-6-10-16(14)22-19(17)20/h2-10,15H,11H2,1H3/q+1 |
| InChIKey |
VRNHGOYEFWLOTN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[C+]1(OC2=C(C(C1)C1=CC=CC=C1)C(OC1=C2C=CC=C1)=O)C |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
