GNPS Library Spectrum CCMSLIB00004751445

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00004751445
Compound NameRoccellin
PIJoel BOUSTIE Pierre LE POGAM
Data CollectorDamien OLIVIER
CAS NumberN/A
Original Submitterdolivierj
Most Recent Revisordolivierj
Library QualityBronze Spectrum
SmilesO=C(C)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](COC(C)=O)O[C@H]1OC2=CC(OC(C)=CC3=O)=C3C(O)=C2C
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:LDB_POSITIVE:accession:CCMSLIB00004751445
Precursor M/Z453.143
Exact Mass452.132
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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1CommentRoccellinJoel BOUSTIE Pierre LE POGAMM+HDamien OLIVIER453.143dolivierjN/A2019-01-28 06:45:12.0

Spectrum ID Ratings