| SpectraBase Spectrum ID |
6KEok02mdU |
| Name |
Narceine-M (O-demethyl-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-380.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C20H16O7/c1-4-11-7-17-20(27-10-26-17)19(25-3)13(11)8-16(23)12-5-6-15(22)18(24-2)14(12)9-21/h4-7H,1,8,10H2,2-3H3/p+1 |
| InChIKey |
GLZGVVJFFFJEDP-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=C(C([C+](C(CC2=C(C=C)C=C3C(=C2OC)OCO3)=O)C=C1)=C=O)OC |
| 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 |
