GNPS Library Spectrum CCMSLIB00005720747

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720747
Compound NameRIBOFLAVIN
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed493570
CAS Number 83-88-5
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesCC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
InChI"InChI=1S/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/t11-,12+,14-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720747
Precursor M/Z375.13
Exact Mass376.138
Charge-1
Adduct[M-H]-
Ion SourceESI
InstrumentqTof
Ion ModeNegative
Spectrum Provenance Input FileDownload Provenance File
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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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1CommentRIBOFLAVINAndrew D. Patterson[M-H]-Philip Smith375.13mpanitchpakdi4935702020-04-10 13:26:10.0

Spectrum ID Ratings