| SpectraBase Spectrum ID |
8I1LgZNx8Yr |
| Name |
25C-NBOMe-M (O-demethyl-) isomer-1 |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-345.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C17H20ClNO3 |
| InChI |
InChI=1S/C17H20ClNO3/c1-21-16-6-4-3-5-13(16)11-19-8-7-12-9-17(22-2)14(18)10-15(12)20/h3-6,9-10,19-20H,7-8,11H2,1-2H3 |
| InChIKey |
BYYGGQNGMLXMQH-UHFFFAOYSA-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(=CC1CCNCC=1C(=CC=CC1)OC)OC)Cl |
| 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 |
