| SpectraBase Spectrum ID |
9ldteUfqZ3V |
| Name |
Atorvastatin-M (HO-aryl) MS2 |
| Comments |
F: ITMS + c ESI d w Full ms2 575.10 |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C33H35FN2O6 |
| InChI |
InChI=1S/C33H35FN2O6/c1-20(2)31-30(33(42)35-24-12-14-25(37)15-13-24)29(21-6-4-3-5-7-21)32(22-8-10-23(34)11-9-22)36(31)17-16-26(38)18-27(39)19-28(40)41/h3-15,20,26-27,37-39H,16-19H2,1-2H3,(H,35,42)(H,40,41) |
| InChIKey |
SOZOATLLFFVAPM-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1=CC=C(C=C1)NC(C=1C(=C(N(CCC(CC(CC(=O)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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
