| SpectraBase Spectrum ID |
18WqizBKBcd |
| Name |
5-EtO-D4-ALCHT |
| Collision Gas |
N2 |
| Comments |
FTMS + p ESI d Full ms2 [email protected] [50.00-355.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C21H26D4N2O |
| InChI |
InChI=1S/C21H30N2O/c1-3-13-23(18-8-6-5-7-9-18)14-12-17-16-22-21-11-10-19(24-4-2)15-20(17)21/h3,10-11,15-16,18,22H,1,4-9,12-14H2,2H3/i12D2,14D2 |
| InChIKey |
AFEHHJJZHGFBEN-KSYHLIBISA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
P |
| Ionization Type |
HESI |
| Precursor Ion |
[M+H]+ |
| SMILES |
N1C=C(C2=CC(=CC=C12)OCC)C([D])([D])C([D])([D])N(CC=C)C1CCCCC1 |
| 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 |
