| SpectraBase Spectrum ID |
FkEwLQOFgHm |
| Name |
Atorvastatin artifact (-H2O) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [110.00-460.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C27H26FNO4/c1-18(2)26-23(17-30)25(19-8-4-3-5-9-19)27(20-11-13-21(28)14-12-20)29(26)15-7-6-10-22(31)16-24(32)33/h3-9,11-14,18,22,31H,10,15-16H2,1-2H3/p+1/b7-6+ |
| InChIKey |
LJKTUMJNFQFCPK-VOTSOKGWSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CC(=O)O)C\C=C\CN1C(=C([C+]=O)C(=C1C1=CC=C(C=C1)F)C1=CC=CC=C1)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 |
