| SpectraBase Spectrum ID |
36txPRZN87W |
| Name |
Piritramide-M (di-HO-) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [105.00-430.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C26H31N3O2/c27-25(31)26(29-15-5-2-6-16-29)13-18-28(19-14-26)17-12-24(21-8-3-1-4-9-21)22-10-7-11-23(30)20-22/h1,3-4,7-11,13,18,20H,2,5-6,12,14-17,19H2,(H2-,27,30,31)/p+1 |
| InChIKey |
MGDQARBUYLZDBE-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC=C([C+](CCN2C=CC(C(N)=O)(CC2)N2CCCCC2)C2=CC=CC=C2)C1 |
| 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 |
