SpectraBase Compound ID | 3BwOt8LbZwS |
---|---|
InChI | InChI=1S/4C23H28N2O2/c1-4-5-9-15-25-16-18(21-19(25)13-10-14-20(21)26)22(27)24-23(2,3)17-11-7-6-8-12-17;1-4-5-9-15-25-16-19(18-13-10-14-20(26)21(18)25)22(27)24-23(2,3)17-11-7-6-8-12-17;1-4-5-9-14-25-16-20(19-15-18(26)12-13-21(19)25)22(27)24-23(2,3)17-10-7-6-8-11-17;1-4-5-9-14-25-16-20(19-13-12-18(26)15-21(19)25)22(27)24-23(2,3)17-10-7-6-8-11-17/h2*6-8,10-14,16,26H,4-5,9,15H2,1-3H3,(H,24,27);2*6-8,10-13,15-16,26H,4-5,9,14H2,1-3H3,(H,24,27) |
InChIKey | GKPYZDGLBOIPFE-UHFFFAOYSA-N |
Mol Weight | 364.49 g/mol |
Molecular Formula | C23H28N2O2 |
Exact Mass | 364.215078 g/mol |
SpectraBase Spectrum ID | 5UTWnzJ8YC |
---|---|
Name | Cumyl-PICA-M (HO-) isomer 2 MS2 |
Comments | F: ITMS + c ESI d w Full ms2 365.30 |
Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
Formula | C23H28N2O2 |
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 |