| SpectraBase Compound ID | JsP8ocng9yZ |
|---|---|
| InChI | InChI=1S/5C36H47N5O5/c2*1-36(2,3)39-35(46)30-23-40(21-24-9-8-14-37-20-24)15-16-41(30)22-28(42)18-27(17-26-11-5-7-13-31(26)43)34(45)38-33-29-12-6-4-10-25(29)19-32(33)44;2*1-36(2,3)39-35(46)31-23-40(21-25-9-7-13-37-20-25)14-15-41(31)22-29(43)18-27(16-24-8-6-11-28(42)17-24)34(45)38-33-30-12-5-4-10-26(30)19-32(33)44;1-36(2,3)39-35(46)31-23-40(21-25-7-6-14-37-20-25)15-16-41(31)22-29(43)18-27(17-24-10-12-28(42)13-11-24)34(45)38-33-30-9-5-4-8-26(30)19-32(33)44/h2*4-14,20,27-28,30,32-33,42-44H,15-19,21-23H2,1-3H3,(H,38,45)(H,39,46);2*4-13,17,20,27,29,31-33,42-44H,14-16,18-19,21-23H2,1-3H3,(H,38,45)(H,39,46);4-14,20,27,29,31-33,42-44H,15-19,21-23H2,1-3H3,(H,38,45)(H,39,46) |
| InChIKey | MEFIPTWMJKEPKI-UHFFFAOYSA-N |
| Mol Weight | 629.8 g/mol |
| Molecular Formula | C36H47N5O5 |
| Exact Mass | 629.35772 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 7fXgZTX4lc |
|---|---|
| Name | Indinavir-M (HO-ring) isomer 1 MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 630.20 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C36H47N5O5 |
| Ion Polarity | P |
| Ionization Type | ESI |
| 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: Metabolite |
| Source of Spectrum | Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type | ms2 |
| Technique | ITMS |