| SpectraBase Spectrum ID |
CGBymQ3BM2e |
| Name |
Flunitrazepam |
| CAS Registry Number |
1622-62-4 |
| Collision Energy |
35 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
313.086269418 u |
| Formula |
C16H12FN3O3 |
| InChI |
InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3 |
| InChIKey |
PPTYJKAXVCCBDU-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
313.288 g/mol |
| Nominal Mass |
313 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
314.094 |
| SMILES |
C=1(F)C(C2=NCC(=O)N(C3=C2C=C(N(=O)=O)C=C3)C)=CC=CC1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
5-(2-fluorophenyl)-1-methyl-7-nitro-3H-1,4-benzodiazepin-2-one |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_372.5 |
