| SpectraBase Spectrum ID |
8Xymx8TonGG |
| Name |
Pyranocoumarin ## |
| CAS Registry Number |
518-20-7 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-350.00] |
| 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 |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
C12=C(C3=C(C=CC=C3)OC1=O)OC(OC)(C)CC2C1=CC=CC=C1 |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
![2-Methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-pyrano-[3,2-C]-chromen-5-one](/api/spectrum/8Xymx8TonGG/structure.png?h=300&w=458 "2-Methoxy-2-methyl-4-phenyl-3,4-dihydro-2H-pyrano-[3,2-C]-chromen-5-one")
