| SpectraBase Compound ID | AojaMO2bIEF |
|---|---|
| InChI | InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39) |
| InChIKey | QAGYKUNXZHXKMR-UHFFFAOYSA-N |
| Mol Weight | 567.8 g/mol |
| Molecular Formula | C32H45N3O4S |
| Exact Mass | 567.313078 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 3Cll9ipgE38 |
|---|---|
| Name | Nelfinavir MS2 |
| CAS Registry Number | 159989-64-7 |
| Comments | F: ITMS + c ESI d w Full ms2 568.30 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C32H45N3O4S |
| InChI | InChI=1S/C32H45N3O4S/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39) |
| InChIKey | QAGYKUNXZHXKMR-UHFFFAOYSA-N |
| Ion Polarity | P |
| Ionization Type | ESI |
| SMILES | N(C(C(CN1CC2C(CC1C(NC(C)(C)C)=O)CCCC2)O)CSC1=CC=CC=C1)C(C1=C(C(=CC=C1)O)C)=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 | ms2 |
| Technique | ITMS |