| SpectraBase Spectrum ID |
9KaupsauLg |
| Name |
Cimetidine MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-170.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C5H10N4S/c1-7-5(9-4-6)8-2-3-10/h10H,2-3H2,1H3,(H2,7,8,9)/p+1 |
| InChIKey |
ZORWZOOZJGMSTE-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[SH2+]CCN\C(=N\C#N)NC |
| 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 |
