| SpectraBase Compound ID | 9xFPfPvNOGA |
|---|---|
| InChI | InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11?,12?,13-,17?,18-/m0/s1 |
| InChIKey | OROGSEYTTFOCAN-GLAODNLDSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C18H21NO3 |
| Exact Mass | 299.152144 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | Fxk7IBAdKrh |
|---|---|
| Name | Codeine |
| CAS Registry Number | 76-57-3 |
| Collision Energy | 5 eV |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass | 299.152143537 u |
| Formula | C18H21NO3 |
| InChI | InChI=1S/C18H21NO3/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19/h3-6,11-13,17,20H,7-9H2,1-2H3/t11?,12?,13-,17?,18-/m0/s1 |
| InChIKey | OROGSEYTTFOCAN-GLAODNLDSA-N |
| Instrument Name | QStar XL, AB Sciex |
| Ion Polarity | P |
| Ionization Type | ESI+ |
| Molecular Weight | 299.370 g/mol |
| Nominal Mass | 299 u |
| Precursor Ion | [M+H]+ |
| Precursor m/z | 300.159 |
| SMILES | O[C@@]1(C2OC=3C=4[C@]22C([C@](N(CC2)C)(CC4C=CC3OC)[H])C=C1)[H] |
| Selected Ion Charge | 1 |
| Source of Spectrum | Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type | ms2 |
| Technique | Q-TOF |
| Wiley ID | MSforID_+_241.19 |