| SpectraBase Spectrum ID |
LG06tHZo27u |
| Name |
Codeine MS2 |
| CAS Registry Number |
76-57-3 |
| Comments |
T: ITMS + c ESI d w Full ms2 [email protected] [70.00-315.00] |
| Copyright |
Copyright © 2018-2025 Wiley-VCH GmbH. All Rights Reserved. |
| 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+/m1/s1 |
| InChIKey |
OROGSEYTTFOCAN-UHFFFAOYSA-N |
| Ion Polarity |
P |
| Ionization Type |
ESI |
| SMILES |
OC1C2[C@@]34C5=C(C[C@](C4C=C1)(N(C)CC3)[H])C=CC(OC)=C5O2 |
| 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: Parent |
| Source of Spectrum |
Maurer/Wissenbach/Weber, Saarland University |
| Spectrum Type |
ms2 |
| Technique |
ITMS |
