| SpectraBase Spectrum ID |
FqCrz7cc5PU |
| Name |
Pentifylline-M (di-HO-) -H2O |
| Classification |
Vasodilator |
| Comments |
Structure comment: Wiggly bond = unknown position of substituent |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
278.137890453 u |
| Formula |
C13H18N4O3 |
| InChI |
InChI=1S/C13H18N4O3/c1-4-5-9(18)6-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h4-5,8-9,18H,6-7H2,1-3H3/b5-4- |
| InChIKey |
ARXFTFGJDACDRT-PLNGDYQASA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
278.312 g/mol |
| SMILES |
c12[n](cnc2N(C(=O)N(CCC(O)\C=C/C)C1=O)C)C |
| SPLASH |
splash10-0006-4940000000-3feeece1ae3509809223 |
| 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: UHY 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_1930 |
