| SpectraBase Spectrum ID |
KbBmhagN6Fl |
| Name |
Atorvastatin artifact (-H2O) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 541.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C33H33FN2O4 |
| InChI |
InChI=1S/C33H33FN2O4/c1-22(2)31-30(33(40)35-26-13-7-4-8-14-26)29(23-11-5-3-6-12-23)32(24-16-18-25(34)19-17-24)36(31)20-10-9-15-27(37)21-28(38)39/h3-14,16-19,22,27,37H,15,20-21H2,1-2H3,(H,35,40)(H,38,39)/b10-9+ |
| InChIKey |
CRZNCPXCXJNZIS-MDZDMXLPSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N(C1=CC=CC=C1)C(C=1C(=C(N(C\C=C\CC(CC(=O)O)O)C1C(C)C)C1=CC=C(C=C1)F)C1=CC=CC=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 |
