GNPS Library Spectrum CCMSLIB00005719642

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005719642
Compound Nameallo-Protolichesterinic acid
PIJean-Luc WOLFENDER Pierre-Marie ALLARD
Data CollectorDamien OLIVIER
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesCCCCCCCCCCCCC[C@@H]1OC(=O)C(=C)[C@@H]1C(=O)O
InChI"InChI=1S/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16-17H,2-14H2,1H3,(H,20,21)/t16-,17-/m0/s1"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:LDB_NEGATIVE:accession:CCMSLIB00005719642
Precursor M/Z323.222
Exact Mass324.23
Charge1
Adduct[M-H]
Ion SourceLC-ESI
InstrumentOrbitrap
Ion ModeNegative
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Library MembershipLDB_NEGATIVE
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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1Commentallo-Protolichesterinic acidJean-Luc WOLFENDER Pierre-Marie ALLARD[M-H]Damien OLIVIER323.222mpanitchpakdiN/A2020-03-23 11:18:23.0

Spectrum ID Ratings