| SpectraBase Spectrum ID |
Eu0s1Y84jUo |
| Name |
Trimethoprim-M (O-demethyl-) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 [email protected] [65.00-290.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H16N4O3 |
| InChI |
InChI=1S/C13H16N4O3/c1-19-10-5-7(4-9(18)11(10)20-2)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17) |
| InChIKey |
HWBPOLWLLFXEJY-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=C(CC2=C(N=C(N=C2)N)N)C=C(C1OC)OC |
| 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 |
ms2 |
| Technique |
ITMS |
