GNPS Library Spectrum CCMSLIB00004751448

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00004751448
Compound NameAcetyllobodirin
PIJoel BOUSTIE Pierre LE POGAM
Data CollectorDamien OLIVIER
CAS NumberN/A
Original Submitterdolivierj
Most Recent Revisordolivierj
Library QualityBronze Spectrum
SmilesCC1=CC(C2=C(C(C)=C(O[C@H]3[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O3)C=C2O)O1)=O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:LDB_POSITIVE:accession:CCMSLIB00004751448
Precursor M/Z537.161
Exact Mass536.153
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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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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1CommentAcetyllobodirinJoel BOUSTIE Pierre LE POGAMM+HDamien OLIVIER537.161dolivierjN/A2019-01-28 06:45:12.0

Spectrum ID Ratings