Dataset

CTP, Cytidine 5'-triphosphoric acid, Deoxycytosine triphosphate, Cytidine-5'-triphosphate disodium salt

This MassBank record with Accession MSBNK-RIKEN_ReSpect-PS011607 contains the MS2 mass spectrum of CTP, Cytidine 5'-triphosphoric acid, Deoxycytosine triphosphate, Cytidine-5'-triphosphate disodium salt with the InChIkey PCDQPRRSZKQHHS-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)
SMILES	C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
InChI Key	PCDQPRRSZKQHHS-UHFFFAOYSA-N
Molecular Formula	C9H16N3O14P3
Exact Mass	483.162 g/mol

Data and Resources

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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-nc/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN_ReSpect-PS011607
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T21:31:50.322518
MetadataModified	2025-02-09T19:06:36.360377
MetadataPublished	2009-02-09

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
593	PubChem
HMDB0248548	Human Metabolome Database
SCHEMBL15958751	SureChEMBL
PD022967	ProbesDrugs
70116530	NMRShiftDB
65-47-4	ACToR
36051-68-0	ACToR
The data in this table is sourced from UniChem at EBI.