GNPS Library Spectrum CCMSLIB00000845022

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000845022
Compound NameNCGC00169946-02!2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
PIJadhav/Dorrestein
Data Collectorlfnothias
Pubmedn/a
CAS Numbern/a
Original Submittermwang87
Most Recent Revisormwang87
Library QualityGold Spectrum
SmilesCCCC(O)C(O)C1CC(OC)=CC(=O)O1
InChIInChI=1S/C11H18O5/c1-3-4-8(12)11(14)9-5-7(15-2)6-10(13)16-9/h6,8-9,11-12,14H,3-5H2,1-2H3
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE:accession:CCMSLIB00000845022
Precursor M/Z248.149
Exact Mass230.115
Charge1
AdductM+NH4
Ion SourceLC-ESI
InstrumentMaxis II HD Q-TOF Bruker
Ion Modepositive
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Library MembershipGNPS-NIH-NATURALPRODUCTSLIBRARY_ROUND2_POSITIVE
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment
NCGC00169946-02
2-(1,2-dihydroxypentyl)-4-methoxy-2,3-dihydropyran-6-one
Jadhav/DorresteinM+NH4lfnothias248.149mwang87n/a2017-01-30 15:16:07.0

Spectrum ID Ratings