| SpectraBase Spectrum ID |
7pAB2FIahc |
| Name |
Paynantheine-M (16-HOOC-) MS3_2 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-225.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C11H15NO3/c1-3-8-6-12-5-4-9(8)10(7-15-2)11(13)14/h3,5,7,9,12H,4,6H2,1-2H3/p+1/b8-3+,10-7+ |
| InChIKey |
LJOWMVKAZMPGIO-ZTCPLJAMSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1[CH+]CC(\C(C(=O)O)=C\OC)\C(C1)=C\C |
| 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 |
