| SpectraBase Spectrum ID |
JWtyEQXcQJb |
| Name |
Efavirenz-M (HO-aryl) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [80.00-345.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H9ClF3NO3 |
| InChI |
InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21) |
| InChIKey |
OOVOMPCQLMFEDT-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
N1C(OC(C=2C=C(C=C(C12)O)Cl)(C(F)(F)F)C#CC1CC1)=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 |
