GNPS Library Spectrum CCMSLIB00005489318

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005489318
Compound NameMassbank:PB000442 Methionine|2-amino-4-methylsulfanylbutanoic acid [IIN-based on: CCMSLIB00000221761]
PIPieter Dorrestein
Data CollectorRobin Schmid
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesCSCCC(C(=O)O)N
InChI1S/C5H11NO2S/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-IIMN-PROPOGATED:accession:CCMSLIB00005489318
Precursor M/Z133.032
Exact Mass132.024
Charge1
Adduct[M+H]+
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-IIMN-PROPOGATED
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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1CommentMassbank:PB000442 Methionine|2-amino-4-methylsulfanylbutanoic acid [IIN-based on: CCMSLIB00000221761]Pieter Dorrestein[M+H]+Robin Schmid133.032mpanitchpakdiN/A2019-12-20 15:04:50.0

Spectrum ID Ratings