| SpectraBase Spectrum ID |
35TSc8qo6Ln |
| Name |
Codeine-M (O-demethyl) MS2 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [65.00-300.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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+/m1/s1 |
| InChIKey |
BQJCRHHNABKAKU-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC=1C=CC2=C3[C@@]45C(C(C=CC4[C@@](C2)(N(C)CC5)[H])O)OC13 |
| 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 |
ms2 |
| Technique |
ITMS |
