SpectraBase Spectrum ID |
4eEvxi1nYug |
Name |
Cyclocumarol MS2 |
Comments |
F: ITMS + c ESI d w Full ms2 323.10 |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula |
C20H18O4 |
InChI |
InChI=1S/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3 |
InChIKey |
ZGFASEKBKWVCGP-UHFFFAOYSA-N |
Ion Polarity |
P |
Ionization Type |
ESI |
SMILES |
C1=C(C=CC=C1)C1C2=C(C3=C(OC2=O)C=CC=C3)OC(OC)(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: Parent |
Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
Spectrum Type |
ms2 |
Technique |
ITMS |