GNPS Library Spectrum CCMSLIB00005464392

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005464392
Compound NameTHYMIDINE
PIDorrestein
Data CollectorKelly Weldon
CAS Number50-89-5
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesCC1=CN([C@H]2C[C@H](O)[C@@H](CO)O2)C(=O)NC1=O
InChI"InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-MSMLS:accession:CCMSLIB00005464392
Precursor M/Z265.079
Exact Mass242.09
Charge1
AdductM+Na
Ion SourceESI
InstrumentOrbitrap
Ion ModePositive
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Library MembershipGNPS-MSMLS
SPLASH Keynull-null-null-null
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Spectrum Annotation History

Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentTHYMIDINEDorresteinM+NaKelly Weldon265.079mpanitchpakdiN/A2019-11-06 14:36:04.0

Spectrum ID Ratings