| SpectraBase Spectrum ID |
JG3z2rBpn7I |
| Name |
Dobutamine-M 2AC |
| CAS Registry Number |
55044-58-1 |
| Classification |
Pharmaceutical drug metabolite |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
251.115758027 u |
| Formula |
C13H17NO4 |
| InChI |
InChI=1S/C13H17NO4/c1-9(15)14(3)7-6-11-4-5-13(12(17)8-11)18-10(2)16/h4-5,8,17H,6-7H2,1-3H3 |
| InChIKey |
MHHGAFQUEAVFQY-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
251.282 g/mol |
| Nominal Mass |
251 u |
| Quality |
989 |
| Retention Index |
1868 |
| SMILES |
OC1=C(OC(=O)C)C=CC(=C1)CCN(C(=O)C)C |
| SPLASH |
splash10-0udi-4900000000-2ca4e1e6f0746c6f5a34 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(2-(acetyl(methyl)amino)ethyl)-2-hydroxyphenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_033606 |
