| SpectraBase Compound ID | IFDPPZVM5fR |
|---|---|
| InChI | InChI=1S/4C14H18N2O2.4CH4O/c1-2-3-4-8-16-9-10(14(15)18)13-11(16)6-5-7-12(13)17;1-2-3-4-8-16-9-11(14(15)18)10-6-5-7-12(17)13(10)16;1-2-3-4-7-16-9-12(14(15)18)11-8-10(17)5-6-13(11)16;1-2-3-4-7-16-9-12(14(15)18)11-6-5-10(17)8-13(11)16;4*1-2/h2*5-7,9,17H,2-4,8H2,1H3,(H2,15,18);2*5-6,8-9,17H,2-4,7H2,1H3,(H2,15,18);4*2H,1H3/p+4 |
| InChIKey | ZKKRTTJNTMTSGM-UHFFFAOYSA-R |
| Mol Weight | 279.36 g/mol |
| Molecular Formula | C15H23N2O3 |
| Exact Mass | 279.170868 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | HsgF3xPfcQw |
|---|---|
| Name | Cumyl-PICA-M (di-HO-) isomer 2 MS3_1 |
| Comments | F: ITMS + c ESI d w Full ms3 [email protected] [email protected] [60.00-275.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H19N2O3 |
| 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 | ms3 |
| Technique | ITMS |