| SpectraBase Spectrum ID |
1D1HA45BONF |
| Name |
Trimethylamine N-oxide |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
1184-78-7 |
| ChEBI ID |
15724 |
| Comments |
100 mM Trimethylamine N-oxide - Aldrich 317594
Solvent D2O Buffer sodium phosphate Cytocide sodium azide Reference DSS; pH 7.4, temperature 298 K |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C3 H9 N O |
| IUPAC Name |
N,N-dimethylmethanamine oxide |
| InChI |
InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 |
| InChIKey |
UYPYRKYUKCHHIB-UHFFFAOYSA-N |
| KEGG Compound ID |
C01104 |
| KEGG Pathways |
PATH: ko00680 Methane metabolism
PATH: ko02020 Two-component system - General |
| PubChem Compound ID |
1145 |
| SMILES |
C[N+](C)(C)[O-] |
| Source File Reference |
bmse000426 |
