| SpectraBase Compound ID | 4xR0ISLNT5b |
|---|---|
| InChI | InChI=1S/4C19H21NO/c1-20-13-5-9-17-16-8-3-2-6-14(16)11-12-15-7-4-10-18(21)19(15)17;1-20-13-5-9-16-15-7-3-2-6-14(15)11-12-18-17(16)8-4-10-19(18)21;1-20-12-4-7-19-17-6-3-2-5-14(17)8-9-15-13-16(21)10-11-18(15)19;1-20-12-4-7-18-17-6-3-2-5-14(17)8-9-15-10-11-16(21)13-19(15)18/h2-4,6-8,10-12,17,20-21H,5,9,13H2,1H3;2-4,6-8,10-12,16,20-21H,5,9,13H2,1H3;2-3,5-6,8-11,13,19-21H,4,7,12H2,1H3;2-3,5-6,8-11,13,18,20-21H,4,7,12H2,1H3 |
| InChIKey | YNAUQNRPUYUIHM-UHFFFAOYSA-N |
| Mol Weight | 279.38 g/mol |
| Molecular Formula | C19H21NO |
| Exact Mass | 279.162314 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | IFrUgmjKepQ |
|---|---|
| Name | Protriptyline-M (HO-ring) isomer-1 |
| Collision Gas | N2 |
| Comments | FTMS + p ESI d Full ms2 [email protected] [50.00-305.00] |
| Copyright | Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C19H21NO |
| Inlet Type | UHPLC |
| Instrument Name | Thermo Fisher Q Exactive Orbitrap |
| Ion Polarity | P |
| Ionization Type | HESI |
| Precursor Ion | [M+H]+ |
| Sample Comments | The MMHW Reference Handbook is attached to Record #1, under the Attachments tab. Refer to this reference for the sample preparation procedure and abbreviations, as well as other relevant information pertaining to this database. |
| Selected Ion Charge | 1 |
| Source of Spectrum | Maurer/Meyer/Helfer/Weber c/o Saarland University Homburg/Saar |
| Spectrum Type | ms2 |
| Technique | HCD |