| SpectraBase Spectrum ID |
9hsoKoDz6DT |
| Name |
25I-NBOMe-M (O-demethyl-HO-) isomer-4 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-455.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H20INO4 |
| InChI |
InChI=1S/C17H20INO4/c1-22-16-8-13(20)4-3-12(16)10-19-6-5-11-7-17(23-2)14(18)9-15(11)21/h3-4,7-9,19-21H,5-6,10H2,1-2H3 |
| InChIKey |
KSLVGEHQTWRENW-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC1=C(CCNCC2=CC=C(C=C2OC)O)C=C(C(=C1)I)OC |
| 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 |
