GNPS Library Spectrum CCMSLIB00004722159

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00004722159
Compound NameBuprenorphine
PIManuel Sergi
Data Collector
Pubmed
CAS Number
Original SubmitterFrancesca90
Most Recent RevisorFrancesca90
Library QualityBronze Spectrum
SmilesCC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O
InChIInChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00004722159
Precursor M/Z468.31
Exact Mass467.304
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keynull-null-null-null
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Spectrum Annotations and Comments
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentBuprenorphineManuel SergiM+H 468.31Francesca90 2018-12-04 13:31:50.0

Spectrum ID Ratings