| SpectraBase Spectrum ID |
61046GdevZ0 |
| Name |
Collodion |
| CAS Registry Number |
99994-22-6 |
| Collision Energy |
40 eV |
| Copyright |
Copyright © 2012-2025 Herbert Oberacher. All Rights Reserved. |
| Exact Mass |
312.137496531 u |
| Formula |
C20H16N4 |
| InChI |
InChI=1S/C20H16N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H |
| InChIKey |
CWGBFIRHYJNILV-UHFFFAOYSA-N |
| Instrument Name |
QStar XL, AB Sciex |
| Ion Polarity |
P |
| Ionization Type |
ESI+ |
| Molecular Weight |
312.376 g/mol |
| Nominal Mass |
312 u |
| Precursor Ion |
[M+H]+ |
| Precursor m/z |
313.145 |
| SMILES |
C1=[N+](C(=NN1C1=CC=CC=C1)[N-]C1=CC=CC=C1)C1=CC=CC=C1 |
| Selected Ion Charge |
1 |
| Source of Spectrum |
Herbert Oberacher, Institute of Legal Medicine, Innsbruck/Austria |
| Spectrum Type |
ms2 |
| Synonyms |
(1,4-diphenyl-1,2,4-triazol-4-ium-3-yl)-phenylazanide |
| Technique |
Q-TOF |
| Wiley ID |
MSforID_+_244.7 |
