GNPS Library Spectrum CCMSLIB00005720332

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720332
Compound Name5'-METHYLTHIOADENOSINE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed439176
CAS Number 2457-80-9
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesCSC[C@@H]1[C@H]([C@H]([C@@H](O1)N2C=NC3=C(N=CN=C32)N)O)O
InChI"InChI=1S/C11H15N5O3S/c1-20-2-5-7(17)8(18)11(19-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720332
Precursor M/Z298.097
Exact Mass297.09
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipPSU-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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1Comment5'-METHYLTHIOADENOSINEAndrew D. Patterson[M+H]+Philip Smith298.097mpanitchpakdi4391762020-04-10 13:26:10.0

Spectrum ID Ratings