| SpectraBase Spectrum ID |
8pApWP5zrE |
| Name |
Speciocilliatine-M (HO-aryl) 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/C22H26N2O4/c1-5-13-11-24-9-8-14-19-18(27-3)7-6-17(25)21(19)23-20(14)16(24)10-15(13)12(2)22(26)28-4/h2,6-7,13,15-16,23H,5,8-11H2,1,3-4H3/p+1 |
| InChIKey |
VMDYPOZWSNZRSB-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C2=C(C=CC(=C2C2=C1C1CC(C(=[CH+])C(=O)OC)C(CN1CC2)CC)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 |
