| SpectraBase Spectrum ID |
595CLU5saQr |
| Name |
Benzylpenicillin artifact (381) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-185.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C7H12NO2S/c1-7(2)5(6(9)10-3)8-4-11-7/h4-5,8H,1-3H3/q+1 |
| InChIKey |
WHIFSJWVZAQXHX-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(C(S[CH+]1)(C)C)C(OC)=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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
