Dataset

desorption electrospray ionisation mass spectrometry (DESIMS)

dataset for desorption electrospray ionisation mass spectrometry (DESIMS)\n\n

Chemical Info

molecular Image
InChI InChI=1S/2C40H24N8.8C10H14.4C6H4O4.2Au.10F6P.8Ru/c2*1-2-30-38(26-11-19-42-20-12-26)32-5-6-34(47-32)40(28-15-23-44-24-16-28)36-8-7-35(48-36)39(27-13-21-43-22-14-27)33-4-3-31(46-33)37(29(1)45-30)25-9-17-41-18-10-25;8*1-8(2)10-6-4-9(3)5-7-10;4*7-3-1-4(8)6(10)2-5(3)9;;;10*1-7(2,3,4,5)6;;;;;;;;/h2*1-24H;8*4-8H,1-3H3;4*1-2,7,10H;;;;;;;;;;;;;;;;;;;;/q2*-2;;;;;;;;;;;;;2*+3;10*-1;8*+2/p-8/b2*37-29-,37-31-,38-30-,38-32-,39-33-,39-35-,40-34-,40-36-;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
SMILES [O]1=c2cc3O[Ru+]4[O]=c3cc2O[Ru+]1N1=CC=C(C=C1)C1=C2C=CC3=N2[Au+]25n6c1ccc6C1=C6N2=C(C=C6)C2=c6n5c(=C3C3=CC=N(C=C3)[Ru+]3[O]=c5c(O3)cc3=[O][Ru+](N7=CC=C(C8=c9n%10[Au+]%11%12N%13=C8C=CC%13=C(C8=CC=N4C=C8)c4ccc(n%114)C(=C4N%12=C(C=C4)C(=c%10cc9)C4=CC=N(C=C4)[Ru+]4[O]=c8cc9O[Ru+](N%10=CC=C2C=C%10)[O]=c9cc8O4)C2=CC=N(C=C2)[Ru+]2[O]=c4cc8O[Ru+](N9=CC=C1C=C9)[O]=c8cc4O2)C=C7)Oc3c5)cc6.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.[F-][P](F)(F)(F)(F)F.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C.Cc1ccc(cc1)C(C)C
InChI Key GSCCFQIFSQODIH-ADDCXGJNSA-F
Molecular Formula C184H168Au2F60N16O16P10Ru8
Exact Mass 5523.631 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/GSCCFQIFSQODIH-ADDCXGJNSA-F/CHMO0000484
License URL
Source https://www.chemotion-repository.net/inchikey/GSCCFQIFSQODIH-ADDCXGJNSA-F/CHMO0000484
Version
Author Luis Guillermo Moreno Alcántar
Maintainer Chemotion Repository
Language english
MetadataCreated 2024-09-08T01:52:44.964341
MetadataModified 2024-09-08T01:52:44.964347
MetadataPublished 2023-11-08
Field Value
Measurement Technique desorption electrospray ionisation mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
No additional information available for this Dataset.