| SpectraBase Spectrum ID |
FwCt6jorUFt |
| Name |
Propicillin-M (di-HO-ring) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 411.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H22N2O7S |
| InChI |
InChI=1S/C18H22N2O7S/c1-4-9(27-10-7-5-6-8(21)12(10)22)14(23)19-11-15(24)20-13(17(25)26)18(2,3)28-16(11)20/h5-7,9,11,13,16,21-22H,4H2,1-3H3,(H,19,23)(H,25,26) |
| InChIKey |
FKNGWRYUJBSCTR-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C(C(OC1=C(C(=CC=C1)O)O)CC)=O)C1C(N2C(C(=O)O)C(SC12)(C)C)=O |
| 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 |
