| SpectraBase Spectrum ID |
j0tjv9AnMz |
| Name |
25I-NBOMe-M (O,O-bis-demethyl-glucuronide) isomer 3 MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [100.00-410.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H19INO3 |
| InChI |
InChI=1S/C16H18INO3/c1-21-16-8-11(15(20)9-13(16)17)6-7-18-10-12-4-2-3-5-14(12)19/h2-5,8-9,18-20H,6-7,10H2,1H3/p+1 |
| InChIKey |
HSTWDMWIDIYDSS-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[OH2+]C1=C(CCNCC=2C(=CC=CC2)O)C=C(C(=C1)I)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 |
