| SpectraBase Spectrum ID |
I9uXFr2AJKR |
| Name |
25I-NBOMe-M (O-demethyl-dehydro-) isomer-2 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-440.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H18INO3 |
| InChI |
InChI=1S/C17H18INO3/c1-21-16-6-4-3-5-13(16)11-19-8-7-12-9-17(22-2)14(18)10-15(12)20/h3-10,19-20H,11H2,1-2H3/b8-7+ |
| InChIKey |
QNJLAVMNRSIVES-BQYQJAHWSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC=1C=C(C(=CC1\C=C\NCC=1C(=CC=CC1)OC)OC)I |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
