GNPS Library Spectrum CCMSLIB00005719118

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005719118
Compound NameProtolichesterinic acid
PIDavid RONDEAU Thomas DELHAYE
Data CollectorDamien OLIVIER
CAS NumberN/A
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityBronze Spectrum
SmilesCCCCCCCCCCCCCC1C(C(=C)C(=O)O1)C(=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)"
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:LDB_POSITIVE:accession:CCMSLIB00005719118
Precursor M/Z647.452
Exact Mass324.23
Charge1
Adduct[2M-H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModeNegative
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Library MembershipLDB_POSITIVE
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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1CommentProtolichesterinic acidDavid RONDEAU Thomas DELHAYE[2M-H]Damien OLIVIER647.452mpanitchpakdiN/A2020-03-23 10:55:54.0

Spectrum ID Ratings