| SpectraBase Spectrum ID |
GCCLUtfuBn0 |
| Name |
25I-NBOMe-M (HO-glucuronide) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [110.00-455.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H23INO4 |
| InChI |
InChI=1S/C18H22INO4/c1-22-16-9-14(21)5-4-13(16)11-20-7-6-12-8-18(24-3)15(19)10-17(12)23-2/h4-5,8-10,20-21H,6-7,11H2,1-3H3/p+1 |
| InChIKey |
SOVZUKWDXFGFTI-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[OH2+]C1=CC=C(CNCCC2=C(C=C(C(=C2)OC)I)OC)C(=C1)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 |
