| SpectraBase Spectrum ID |
7t6wvbU1OSs |
| Name |
Penicillin G artifact (367) MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-175.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C16H19N3O4S |
| InChI |
InChI=1S/C6H9NO2S/c1-6(2)4(5(8)9)7-3-10-6/h3-4,7H,1-2H3/p+1 |
| InChIKey |
SXRBJFGRGFZRFM-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(C(O)=O)C(S[CH+]1)(C)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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
