| SpectraBase Spectrum ID |
8AdFpkvKR6K |
| Name |
Methadone |
| CAS Registry Number |
76-99-3 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
309.209264492 u |
| Formula |
C21H27NO |
| InChI |
InChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3 |
| InChIKey |
USSIQXCVUWKGNF-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
309.453 g/mol |
| Nominal Mass |
309 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
310.217 |
| SMILES |
C(=O)(C(CC(N(C)C)C)(C1=CC=CC=C1)C1=CC=CC=C1)CC |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
6-(dimethylamino)-4,4-diphenylheptan-3-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_545.7 |
