| SpectraBase Spectrum ID |
1dj5MZ3j2Y5 |
| Name |
Fosamprenavir_neg |
| CAS Registry Number |
226700-79-4 |
| Collision Gas |
N2 |
| Comments |
FTMS - p ESI d Full ms2 [email protected] [50.00-615.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula |
C25H36N3O9PS |
| InChI |
InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32) |
| InChIKey |
MLBVMOWEQCZNCC-UHFFFAOYSA-N |
| Inlet Type |
UHPLC |
| Instrument Name |
Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity |
N |
| Ionization Type |
HESI |
| Precursor Ion |
[M-H]- |
| SMILES |
NC1=CC=C(S(N(CC(OP(O)(O)=O)C(NC(=O)OC2CCOC2)CC2=CC=CC=C2)CC(C)C)(=O)=O)C=C1 |
| 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 |
