| SpectraBase Spectrum ID |
mKCTVmntg2 |
| Name |
Mitracilliatine-M (HO-aryl-glucuronide) MS3_1 |
| 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. |
| Formula |
C23H30N2O5 |
| InChI |
InChI=1S/C23H30N2O5/c1-5-13-11-25-7-6-15-21-18(8-14(26)9-20(21)29-3)24-22(15)19(25)10-16(13)17(12-28-2)23(27)30-4/h8-9,12-13,16,19,24,26H,5-7,10-11H2,1-4H3/b17-12+ |
| InChIKey |
JFIYCLZLLNHTOK-SFQUDFHCSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C=2C3CC(C(CN3CCC2C2=C(C=C(C=C12)O)OC)CC)\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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
