| SpectraBase Spectrum ID |
9ozmB1Dw9Y |
| Name |
Elvitegravir MS3_1 |
| Comments |
F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [85.00-375.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C18H14ClFNO4 |
| InChI |
InChI=1S/C18H13ClFNO4/c1-25-15-7-14-11(17(22)12(8-21-14)18(23)24)6-10(15)5-9-3-2-4-13(19)16(9)20/h2-4,6-8H,5H2,1H3,(H,21,22)(H,23,24)/p+1 |
| InChIKey |
HAALOUHZYJRNPF-UHFFFAOYSA-O |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
[NH2+]1C=C(C(=O)O)C(C2=C1C=C(C(=C2)CC1=C(C(=CC=C1)Cl)F)OC)=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 |
ms3 |
| Technique |
ITMS |
