| SpectraBase Spectrum ID |
EjlctXY0Jgd |
| Name |
25I-NBOMe-M (O,O-bis-demethyl-) isomer-3 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-425.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H18INO3 |
| InChI |
InChI=1S/C16H18INO3/c1-21-16-9-13(17)15(20)8-11(16)6-7-18-10-12-4-2-3-5-14(12)19/h2-5,8-9,18-20H,6-7,10H2,1H3 |
| InChIKey |
QACBIDCYHQPRTR-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
OC1=CC(CCNCC2=CC=CC=C2O)=C(C=C1I)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 |
