| SpectraBase Spectrum ID |
K4ecJc44mEz |
| Name |
Ranitidine-M (X-conjugate 124) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H22N4O3S |
| InChI |
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ |
| InChIKey |
VMXUWOKSQNHOCA-UKTHLTGXSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(CCSCC1=CC=C(CN(C)C)O1)\C(=C\N(=O)=O)NC |
| 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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
![(E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine](/api/spectrum/K4ecJc44mEz/structure.png?h=300&w=458 "(E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine")
