Dataset

Thioinosinic acid

This MassBank record with Accession MSBNK-Fiocruz-FIO00528 contains the MS2 mass spectrum of Thioinosinic acid with the InChIkey ZKRFOXLVOKTUTA-KQYNXXCUSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
SMILES [H]N(C=3)c(c2C(=S)N3)n(cn2)[C@H](O1)[C@H](O)[C@H](O)[C@@H](COP(O)(O)=O)1
InChI Key ZKRFOXLVOKTUTA-KQYNXXCUSA-N
Molecular Formula C10H13N4O7PS
Exact Mass 364.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Fiocruz-FIO00528
Version
Author
Maintainer
Language
MetadataCreated 2024-01-11T16:40:26.752000
MetadataModified 2024-01-11T16:40:26.933222
MetadataPublished 2016-01-19
Field Value
Measurement Technique liquid chromatography-mass spectrometry
Measurement Variables
Data-Source Molecule ID Data-Source
ZINC000004096488 ZINC
CHEMBL1237125 ChEMBL
2332 ChEBI
76CK4YA5ZP FDA SRS
9083 Brenda
HMDB0060416 Human Metabolome Database
157384 Brenda
69600 Brenda
110405 Brenda
32827 Brenda
50580 Brenda
3034391 PubChem
13015-61-7 ACToR
J213.539F Nikkaji
SCHEMBL379365 SureChEMBL
C04646 KEGG Ligand
The data in this table is sourced from UniChem at EBI.