| SpectraBase Compound ID | HSsLRM5yZGl |
|---|---|
| InChI | InChI=1S/C27H34N2O3S/c1-19-23(12-7-13-25(19)30)27(32)28-24(18-33-22-10-3-2-4-11-22)26(31)17-29-15-14-20-8-5-6-9-21(20)16-29/h2-4,7,10-13,15,20-21,24,26,31H,5-6,8-9,14,16-18H2,1H3,(H-,28,30,32)/p+1 |
| InChIKey | JIFQNOQWHGTUBU-UHFFFAOYSA-O |
| Mol Weight | 467.6 g/mol |
| Molecular Formula | C27H35N2O3S |
| Exact Mass | 467.236839 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 6Fyct8O3w7I |
|---|---|
| Name | Nelfinavir MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [110.00-480.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| InChI | InChI=1S/C27H34N2O3S/c1-19-23(12-7-13-25(19)30)27(32)28-24(18-33-22-10-3-2-4-11-22)26(31)17-29-15-14-20-8-5-6-9-21(20)16-29/h2-4,7,10-13,15,20-21,24,26,31H,5-6,8-9,14,16-18H2,1H3,(H-,28,30,32)/p+1 |
| InChIKey | JIFQNOQWHGTUBU-UHFFFAOYSA-O |
| Ion Polarity | P |
| Ionization Type | ESI |
| SMILES | N(C(C(CN1[CH+]CC2C(C1)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 | ms3 |
| Technique | ITMS |