| SpectraBase Compound ID | LyBiNoUs7Db |
|---|---|
| InChI | InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16?,17-/m0/s1 |
| InChIKey | BQJCRHHNABKAKU-PKBQDISRSA-N |
| Mol Weight | 285.34 g/mol |
| Molecular Formula | C17H19NO3 |
| Exact Mass | 285.136493 g/mol |
Mass Spectrum (LC)
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| SpectraBase Spectrum ID | GTyoK0GIQaH |
|---|---|
| Name | Morphine |
| CAS Registry Number | 57-27-2 |
| Collision Energy | 45 eV |
| Copyright | Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass | 285.136493473 u |
| Formula | C17H19NO3 |
| InChI | InChI=1S/C17H19NO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18/h2-5,10-11,13,16,19-20H,6-8H2,1H3/t10?,11?,13-,16?,17-/m0/s1 |
| InChIKey | BQJCRHHNABKAKU-PKBQDISRSA-N |
| Instrument Name | QStar XL, AB Sciex |
| Ion Polarity | P |
| Ionization Type | ESI+ |
| Molecular Weight | 285.343 g/mol |
| Nominal Mass | 285 u |
| Precursor Ion | [M+H]+ |
| Precursor m/z | 286.144 |
| SMILES | OC=1C=CC=2C[C@@]3(C4[C@]5(C2C1OC5[C@@](O)(C=C4)[H])CCN3C)[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_+_594.8 |