| SpectraBase Spectrum ID |
3zfadgjkjx9 |
| Name |
Ranitidine |
| CAS Registry Number |
66357-35-5 |
| Collision Energy |
5 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
314.141261755 u |
| Formula |
C13H22N4O3S |
| InChI |
InChI=1S/C13H22N4O3S/c1-14-13(9-17(18)19)15-6-7-21-10-12-5-4-11(20-12)8-16(2)3/h4-5,9,14-15H,6-8,10H2,1-3H3/b13-9+ |
| InChIKey |
VMXUWOKSQNHOCA-UKTHLTGXSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
314.404 g/mol |
| Nominal Mass |
314 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
315.149 |
| SMILES |
N(CCSCC=1OC(CN(C)C)=CC1)\C(NC)=C\N(=O)=O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(E)-1-N'-[2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_834.9 |
![(E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine](/api/spectrum/3zfadgjkjx9/structure.png?h=300&w=458 "(E)-1-N'-[2-[[5-(dimethylaminomethyl)furan-2-yl]methylsulfanyl]ethyl]-1-N-methyl-2-nitroethene-1,1-diamine")
