| SpectraBase Spectrum ID |
1FEOrI1097B |
| Name |
Trimethoprim isomer-1 AC |
| Classification |
Antibiotic |
| Copyright |
Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
332.148455136 u |
| Formula |
C16H20N4O4 |
| InChI |
InChI=1S/C16H20N4O4/c1-9(21)19-16-18-8-11(15(17)20-16)5-10-6-12(22-2)14(24-4)13(7-10)23-3/h6-8H,5H2,1-4H3,(H3,17,18,19,20,21) |
| InChIKey |
JUOQWYOFCVNUNO-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
332.360 g/mol |
| SMILES |
c1(cnc(NC(C)=O)nc1N)Cc1cc(c(c(OC)c1)OC)OC |
| SPLASH |
splash10-0040-2494000000-f7ec61826675d29a444b |
| 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: PAC U+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_1005 |
