| SpectraBase Spectrum ID |
7mWca6liQN0 |
| Name |
Efavirenz-M (di-HO-)_neg |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-370.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C14H9ClF3NO4 |
| InChI |
InChI=1S/C14H9ClF3NO4/c15-8-5-9-11(10(20)6-8)19(22)12(21)23-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20,22H,1-2H2 |
| InChIKey |
AYMANDZHGXLRTB-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
ON1C2=C(C=C(C=C2O)Cl)C(OC1=O)(C(F)(F)F)C#CC1CC1 |
| Sample Comments |
The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge |
-1 |
| Source of Spectrum |
Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type |
ms2 |
| Technique |
HCD |
