| SpectraBase Spectrum ID |
1ldfXr8S552 |
| Name |
(1-Amino-1-phenylmethyl)phosphonic acid |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
18108-22-0 |
| Comments |
100 mM (1-amino-1-phenylmethyl)phosphonic acid - vendor: Acros 344910010; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C7H10NO3P |
| IUPAC Name |
(amino-phenyl-methyl)phosphonic acid |
| InChI |
InChI=1S/C7H10NO3P/c8-7(12(9,10)11)6-4-2-1-3-5-6/h1-5,7H,8H2,(H2,9,10,11) |
| InChIKey |
ZKFNOUUKULVDOB-UHFFFAOYSA-N |
| PubChem Compound ID |
98449 |
| SMILES |
C1=CC=C(C=C1)C(N)P(=O)(O)O |
| Source File Reference |
bmse000171 |
