GNPS Library Spectrum CCMSLIB00000078022

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078022
Compound NameMalotilate
PIDorrestein
Data CollectorGarg_Neha
CAS Number59937-28-9
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesC(C(C(=O)OC(C)C)=C1SC=CS1)(=O)OC(C)C
InChIN/A
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART2:accession:CCMSLIB00000078022
Precursor M/Z289.056
Exact Mass288.049
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-SELLECKCHEM-FDA-PART2
SPLASH Keysplash10-002r-1940000000-05b8fc8a06f44ad5d010
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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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1CommentMalotilateDorrestein[M+H]Garg_Neha289.056negargN/A2014-04-30 16:05:07.0

Spectrum ID Ratings