| SpectraBase Spectrum ID |
1AlMkUYrRQq |
| Name |
Pyranocoumarin-M (HO-ring) |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-365.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C20H18O5 |
| InChI |
InChI=1S/C20H18O5/c1-20(23-2)11-15(12-6-4-3-5-7-12)17-18(25-20)14-10-13(21)8-9-16(14)24-19(17)22/h3-10,15,21H,11H2,1-2H3 |
| InChIKey |
BZHUMHCHTRYRMG-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC=1C=CC=2OC(C=3C(C4=CC=CC=C4)CC(OC3C2C1)(OC)C)=O |
| 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 |
