| SpectraBase Spectrum ID |
LLiPb8xTP97 |
| Name |
5-EtO-D4-DALT MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-205.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C12H10D4NO |
| InChI |
InChI=1S/C12H14NO/c1-3-9-8-13-12-6-5-10(14-4-2)7-11(9)12/h5-8,13H,1,3-4H2,2H3/q+1/i1D2,3D2 |
| InChIKey |
JNLBBYGKRMSVHM-VEPVEJTGSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C=C(C=2C1=CC=C(C2)OCC)C([C+]([2H])[2H])([2H])[2H] |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
