GNPS Library Spectrum CCMSLIB00000081565

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000081565
Compound Name2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-Ethanesulfonic acid
PINorberto Lopes
Data CollectorNorberto Lopes
CAS Number1391054-56-0
Original Submitterrsilva
Most Recent Revisorrsilva
Library QualityBronze Spectrum
SmilesNC1=NC(SCCS(=O)(O)=O)=NC(N)=N1
InChIInChI=1S/C5H9N5O3S2/c6-3-8-4(7)10-5(9-3)14-1-2-15(11,12)13/h1-2H2,(H,11,12,13)(H4,6,7,8,9,10)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00000081565
Precursor M/Z252.017
Exact Mass251.015
Charge1
AdductM+H
Ion SourceDI-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
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Library MembershipGNPS-LIBRARY
SPLASH Keysplash10-006x-0910000000-f9c8f0bb25fb17004cda
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment2-[(4,6-diamino-1,3,5-triazin-2-yl)thio]-Ethanesulfonic acidNorberto LopesM+HNorberto Lopes252.017rsilvaN/A2014-05-27 08:02:36.0

Spectrum ID Ratings