| SpectraBase Spectrum ID |
9yGPtL4M0Ux |
| Name |
Nitisinone artifact (-H2 -NO2) |
| Classification |
Treatment of
tyrosinemia |
| Copyright |
Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
282.050378636 u |
| Formula |
C14H9O3F3 |
| InChI |
InChI=1S/C14H9F3O3/c15-14(16,17)9-6-4-8(5-7-9)13(20)12-10(18)2-1-3-11(12)19/h1-2,4-7,12H,3H2 |
| InChIKey |
BZWXKFOAXZGVRN-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
282.218 g/mol |
| Related CAS Registry Number(s) |
104206-65-7 |
| SMILES |
C1=CCC(C(C1=O)C(c1ccc(cc1)C(F)(F)F)=O)=O |
| SPLASH |
splash10-0hh0-8970000000-6509ece12012c3b372e8 |
| Sample Comments |
The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database. |
| Source of Spectrum |
H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany |
| Technique |
GC/MS |
| Wiley ID |
MMPW6e_8228 |
