| SpectraBase Spectrum ID |
417a1j7fMbV |
| Name |
Atorvastatin-M/artifact (+ME) MS3_1 |
| Comments |
T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [120.00-495.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI |
InChI=1S/C28H31FNO5/c1-18(2)27-24(17-31)26(19-7-5-4-6-8-19)28(20-9-11-21(29)12-10-20)30(27)14-13-22(32)15-23(33)16-25(34)35-3/h4-12,18,22-23,32-33H,13-16H2,1-3H3/q+1 |
| InChIKey |
RDMINNWNEKKYFY-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC(CC(O)CC(=O)OC)CCN1C(=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: Metabolite |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms3 |
| Technique |
ITMS |
