| SpectraBase Spectrum ID |
7WlUU2PpQY |
| Name |
Letrozole |
| CAS Registry Number |
112809-51-5 |
| Collision Energy |
10 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
285.101445374 u |
| Formula |
C17H11N5 |
| InChI |
InChI=1S/C17H11N5/c18-9-13-1-5-15(6-2-13)17(22-12-20-11-21-22)16-7-3-14(10-19)4-8-16/h1-8,11-12,17H |
| InChIKey |
HPJKCIUCZWXJDR-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
285.310 g/mol |
| Nominal Mass |
285 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
286.109 |
| SMILES |
C1=NN(C=N1)C(C1=CC=C(C=C1)C#N)C1=CC=C(C=C1)C#N |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
4-[(4-cyanophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_473.1 |
