| SpectraBase Spectrum ID |
70Cx50M9kqB |
| Name |
Atorvastatin MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [115.00-480.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C27H28FNO5/c1-17(2)26-23(16-30)25(18-6-4-3-5-7-18)27(19-8-10-20(28)11-9-19)29(26)13-12-21(31)14-22(32)15-24(33)34/h3-11,17,21-22,31-32H,12-15H2,1-2H3/p+1 |
| InChIKey |
MVHLCOACZGQJAQ-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CC(CC(=O)O)O)CCN1C(=C([C+]=O)C(C2=CC=CC=C2)=C1C1=CC=C(C=C1)F)C(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 |
