| SpectraBase Spectrum ID |
7Z77Vf6X6RZ |
| Name |
Pentifylline-M (di-HO-) isomer 1 MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 297.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C13H20N4O4 |
| InChI |
InChI=1S/C13H20N4O4/c1-8(18)9(19)5-4-6-17-12(20)10-11(14-7-15(10)2)16(3)13(17)21/h7-9,18-19H,4-6H2,1-3H3 |
| InChIKey |
ZJBOLBRXIQZJSF-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(C(CCCN1C(N(C2=C(C1=O)N(C)C=N2)C)=O)O)C |
| Sample Comments |
The MWW Reference Handbook and associated table are attached to Record #1, under the Attachments tab. Refer to these references for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Sample Description |
Analyte Type: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
