| SpectraBase Spectrum ID |
8z2ceh0D6e |
| Name |
Simvastatin MS2 |
| CAS Registry Number |
79902-63-9 |
| Comments |
F: ITMS + c ESI d w Full ms2 419.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C25H38O5 |
| InChI |
InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3 |
| InChIKey |
RYMZZMVNJRMUDD-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1CC(CCC2C3C(CC(C=C3C=CC2C)C)OC(=O)C(C)(CC)C)OC(C1)=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 |
ms2 |
| Technique |
ITMS |
