| SpectraBase Spectrum ID |
FfGICtDvD2H |
| Name |
Narceine-M (demethylenyl-sulfate) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C22H27NO8 |
| InChI |
InChI=1S/C22H27NO8/c1-23(2)9-8-12-10-16(25)19(26)20(30-4)14(12)11-15(24)13-6-7-17(29-3)21(31-5)18(13)22(27)28/h6-7,10,25-26H,8-9,11H2,1-5H3,(H,27,28) |
| InChIKey |
YMBLPPYFQHPFNY-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C1=C(C(CC2=C(C(=C(C=C2CCN(C)C)O)O)OC)=O)C=CC(=C1OC)OC)=O |
| 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 |
