| SpectraBase Spectrum ID |
4veXiWtdsUQ |
| Name |
25I-NBOMe-M (N-dealkyl-O-demethyl- N-acetyl-) isomer-2 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-360.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C11H14INO3 |
| InChI |
InChI=1S/C11H14INO3/c1-7(14)13-4-3-8-5-10(15)9(12)6-11(8)16-2/h5-6,15H,3-4H2,1-2H3,(H,13,14) |
| InChIKey |
DGSCQLFXCHSXPE-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(CCNC(=O)C)=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 |
