GNPS Library Spectrum CCMSLIB00005720345

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005720345
Compound NameASPARTATE
PIAndrew D. Patterson
Data CollectorPhilip Smith
Pubmed5960
CAS Number 56-84-8
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC([C@@H](C(=O)O)N)C(=O)O
InChI"InChI=1S/C4H7NO4/c5-2(4(8)9)1-3(6)7/h2H,1,5H2,(H,6,7)(H,8,9)/t2-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:PSU-MSMLS:accession:CCMSLIB00005720345
Precursor M/Z134.045
Exact Mass133.038
Charge1
Adduct[M+H]+
Ion SourceESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipPSU-MSMLS
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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1CommentASPARTATEAndrew D. Patterson[M+H]+Philip Smith134.045mpanitchpakdi59602020-04-10 13:26:10.0

Spectrum ID Ratings