GNPS Library Spectrum CCMSLIB00005463562

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005463562
Compound NameADIPATE
PIDorrestein
Data CollectorFernando Vargas
Pubmedna
CAS Number0124-04-09
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesOC(=O)CCCCC(O)=O
InChI"InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-MSMLS:accession:CCMSLIB00005463562
Precursor M/Z145.051
Exact Mass146.058
Charge-1
AdductM-H
Ion SourceESI
InstrumentOrbitrap
Ion ModeNegative
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Library MembershipGNPS-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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1CommentADIPATEDorresteinM-HFernando Vargas145.051mpanitchpakdina2019-09-27 10:33:26.0

Spectrum ID Ratings