| SpectraBase Spectrum ID |
5Uw2yNa4mRf |
| Name |
Acyclovir |
| CAS Registry Number |
59277-89-3 |
| Collision Energy |
5 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
225.086189231 u |
| Formula |
C8H11N5O3 |
| InChI |
InChI=1S/C8H11N5O3/c9-8-11-6-5(7(15)12-8)10-3-13(6)4-16-2-1-14/h3,14H,1-2,4H2,(H3,9,11,12,15) |
| InChIKey |
MKUXAQIIEYXACX-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
225.208 g/mol |
| Nominal Mass |
225 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
226.094 |
| SMILES |
N1C(=NC(=O)C=2N=CN(C12)COCCO)N |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-amino-9-(2-hydroxyethoxymethyl)-3H-purin-6-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_29.8 |
