| SpectraBase Spectrum ID |
8KKeTPgYSG |
| Name |
Speciocilliatine MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-380.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C22H27N2O3/c1-5-14-12-24-10-9-15-20-17(7-6-8-19(20)26-3)23-21(15)18(24)11-16(14)13(2)22(25)27-4/h2,6-8,14,16,18,23H,5,9-12H2,1,3-4H3/q+1 |
| InChIKey |
KPVMPVVZRXLXOV-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C=2C(C=3CCN4CC(C(CC4C13)C(=[CH+])C(=O)OC)CC)=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
