| SpectraBase Compound ID | 8V76t8V5pKT |
|---|---|
| InChI | InChI=1S/3C27H33N3O7S/c1-27(2)23-13-10-20(37-3)16-22(23)24(32)30(25(27)33)15-14-17-4-11-21(12-5-17)38(35,36)29-26(34)28-18-6-8-19(31)9-7-18;1-27(2)23-12-9-20(37-3)16-22(23)24(32)30(25(27)33)14-13-17-7-10-21(11-8-17)38(35,36)29-26(34)28-18-5-4-6-19(31)15-18;1-27(2)21-13-10-18(37-3)16-20(21)24(32)30(25(27)33)15-14-17-8-11-19(12-9-17)38(35,36)29-26(34)28-22-6-4-5-7-23(22)31/h4-5,10-13,16,18-19,31H,6-9,14-15H2,1-3H3,(H2,28,29,34);7-12,16,18-19,31H,4-6,13-15H2,1-3H3,(H2,28,29,34);8-13,16,22-23,31H,4-7,14-15H2,1-3H3,(H2,28,29,34) |
| InChIKey | GEUNSQIAXYHCLX-UHFFFAOYSA-N |
| Mol Weight | 543.6 g/mol |
| Molecular Formula | C27H33N3O7S |
| Exact Mass | 543.203922 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 7ejZc7MEIi |
|---|---|
| Name | Gliquidone-M (HO-) MS2 |
| Comments | F: ITMS + c ESI d w Full ms2 544.10 |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C27H33N3O7S |
| 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 |