SpectraBase Spectrum ID |
7ZYM26BKs6K |
Name |
Dobutamine-M (O-methyl-) 3AC |
Classification |
Sympathomimetic |
Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
441.215137716 u |
Formula |
C25H31NO6 |
InChI |
InChI=1S/C25H31NO6/c1-17(6-7-21-8-11-23(12-9-21)31-19(3)28)26(18(2)27)15-14-22-10-13-24(32-20(4)29)25(16-22)30-5/h8-13,16-17H,6-7,14-15H2,1-5H3 |
InChIKey |
QTRDJIJSJVKPKW-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
441.524 g/mol |
Related CAS Registry Number(s) |
34368-04-2 |
SMILES |
c1(CCC(N(CCc2cc(OC)c(cc2)OC(C)=O)C(C)=O)C)ccc(OC(C)=O)cc1 |
SPLASH |
splash10-0pb9-7940000000-95e697bbe3d0f71b7653 |
Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
Sample Preparation Procedure |
Detected: UHYAC |
Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
Technique |
GC/MS |
Wiley ID |
MMPW6e_2484 |