GNPS Library Spectrum CCMSLIB00000479609

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000479609
Compound NameBiotin
PIAlexandrov Theodore
Data CollectorPrasad
Pubmed171548
CAS Number58-85-5
Original Submitterpphapale
Most Recent Revisorpphapale
Library QualityGold Spectrum
SmilesN/A
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-EMBL-MCF:accession:CCMSLIB00000479609
Precursor M/Z245.098
Exact Mass244.088
Charge1
AdductM+H
Ion SourceDI-ESI
InstrumentOrbitrap
Ion ModePositive
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Library MembershipGNPS-EMBL-MCF
SPLASH Keysplash10-004i-0090000000-dc0eab55f5142ace60e6
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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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1CommentBiotinAlexandrov TheodoreM+HPrasad245.098pphapale1715482017-02-01 07:16:16.0
2CommentBiotinAlexandrov TheodoreM+HPrasad244.31pphapale1715482015-08-16 11:16:06.0

Spectrum ID Ratings