| SpectraBase Spectrum ID |
6vAXg0koJIC |
| Name |
Simvastatin artifact (+NH4) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [65.00-300.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C14H12N3O2/c1-16-14(10-5-3-2-4-6-10)12-9-11(17(18)19)7-8-13(12)15/h2-9,15H,1H3/q+1/b15-13?,16-14- |
| InChIKey |
LLRMJRPCOGEJEN-HXQOECQISA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N=C1C=C[C+](C=C1\C(=N/C)C=1C=CC=CC1)N(=O)=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 |
