| SpectraBase Compound ID | 5Fr0aBfm8Lx |
|---|---|
| InChI | InChI=1S/4C14H15NO2/c1-2-3-4-8-15-9-11(10-16)14-12(15)6-5-7-13(14)17;1-2-3-4-8-15-9-11(10-16)12-6-5-7-13(17)14(12)15;1-2-3-4-7-15-9-11(10-16)13-8-12(17)5-6-14(13)15;1-2-3-4-7-15-9-11(10-16)13-6-5-12(17)8-14(13)15/h2*5-7,9H,2-4,8H2,1H3;2*5-6,8-9H,2-4,7H2,1H3/p+4 |
| InChIKey | MNMBRLGRZXYWBF-UHFFFAOYSA-R |
| Mol Weight | 230.29 g/mol |
| Molecular Formula | C14H16NO2 |
| Exact Mass | 230.118104 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | 5OFsiwBx1BV |
|---|---|
| Name | KM-X1-M (HO-) isomer 1 MS3_1 |
| Comments | T: ITMS + c ESI d w Full ms3 [email protected] [email protected] [50.00-245.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C14H16NO2 |
| 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 |