| SpectraBase Spectrum ID |
6EmdMwI9XO4 |
| Name |
Speciocilliatine-M (HO-alkyl) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [90.00-395.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C22H27N2O4/c1-13(22(26)28-3)16-11-18-21-15(7-9-24(18)12-14(16)8-10-25)20-17(23-21)5-4-6-19(20)27-2/h1,4-6,14,16,18,23,25H,7-12H2,2-3H3/q+1 |
| InChIKey |
GEUNNKZWGCGNIR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C=2C(C3=C1C1CC(C(CCO)CN1CC3)C(=[CH+])C(=O)OC)=C(C=CC2)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 |
