SpectraBase Spectrum ID |
L8Lj545Y5qr |
Name |
Speciocilliatine-M (HO-aryl-glucuronide) MS3_2 |
Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-250.00] |
Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
InChI |
InChI=1S/C13H20NO3/c1-5-10-7-14-9(2)6-11(10)12(8-16-3)13(15)17-4/h6,8,10-11,14H,2,5,7H2,1,3-4H3/q+1/b12-8+ |
InChIKey |
FAVBZZMAMYEJFG-XYOKQWHBSA-N |
Ion Polarity |
P |
Ionization Type |
ESI |
SMILES |
N1CC(C(C=C1[CH2+])\C(=C/OC)C(=O)OC)CC |
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 |