| SpectraBase Spectrum ID |
ABpFftw4lmC |
| Name |
Anastrozole |
| CAS Registry Number |
120511-73-1 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
293.164045632 u |
| Formula |
C17H19N5 |
| InChI |
InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3 |
| InChIKey |
YBBLVLTVTVSKRW-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
293.374 g/mol |
| Nominal Mass |
293 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
294.171 |
| SMILES |
C1=NN(C=N1)CC1=CC(C(C)(C)C#N)=CC(C(C)(C)C#N)=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_63.6 |
