| SpectraBase Spectrum ID |
EEXolWj9JTM |
| Name |
Cytarabine |
| CAS Registry Number |
147-94-4 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
243.085520526 u |
| Formula |
C9H13N3O5 |
| InChI |
InChI=1S/C9H13N3O5/c10-5-1-2-12(9(16)11-5)8-7(15)6(14)4(3-13)17-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,16)/t4-,6-,7+,8-/m1/s1 |
| InChIKey |
UHDGCWIWMRVCDJ-CCXZUQQUSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
243.219 g/mol |
| Nominal Mass |
243 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
244.093 |
| SMILES |
NC=1C=CN([C@@]2(O[C@](CO)([C@]([C@@]2(O)[H])(O)[H])[H])[H])C(N1)=O |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
4-amino-1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_260.6 |
