GNPS Library Spectrum CCMSLIB00006445504

51.083
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51.093
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Latest Library Spectrum Information
Spectrum IDCCMSLIB00006445504
Compound NameTsugaric acid A
PIBMDMS-NP
Data CollectorBMDMS-NP
CAS NumberN/A
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesO=C(OC1CCC2(C3=C(CCC2C1(C)C)C4(C)CCC(C(C(=O)O)CCC=C(C)C)C4(C)CC3)C)C
InChIInChI=1S/C32H50O4/c1-20(2)10-9-11-22(28(34)35)23-14-18-32(8)25-12-13-26-29(4,5)27(36-21(3)33)16-17-30(26,6)24(25)15-19-31(23,32)7/h10,22-23,26-27H,9,11-19H2,1-8H3,(H,34,35)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:BMDMS-NP:accession:CCMSLIB00006445504
Precursor M/Z499.38
Exact Mass498.371
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentOrbitrap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipBMDMS-NP
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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1CommentTsugaric acid ABMDMS-NP[M+H]+BMDMS-NP499.38mwang87N/A2021-05-21 10:24:01.0

Spectrum ID Ratings