| SpectraBase Spectrum ID |
A23k3EIKuEJ |
| Name |
Iso-Paynantheine MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 397.30 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C23H28N2O4 |
| InChI |
InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13,16,19,24H,9-12H2,1-4H3/b14-5+,17-13+ |
| InChIKey |
NRLDTILZZVVGLB-JSTXSDAKSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C=2C3CC(\C(CN3CCC2C=2C1=CC=CC2OC)=C/C)\C(=C/OC)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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
