GNPS Library Spectrum CCMSLIB00006581650

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006581650
Compound Namebiotin
PIMichael Witting
Data CollectorMichael Witting
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
Smiles[H][C@]12CS[C@@H](CCCCC(O)=O)[C@@]1([H])NC(=O)N2
InChI"InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SCIEX-LIBRARY:accession:CCMSLIB00006581650
Precursor M/Z245.095
Exact Mass244.088
Charge1
Adduct[M+H]+
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-SCIEX-LIBRARY
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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1CommentbiotinMichael Witting[M+H]+Michael Witting245.095mpanitchpakdiN/A2021-06-04 16:40:01.0

Spectrum ID Ratings