GNPS Library Spectrum CCMSLIB00000078917

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078917
Compound Name"(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one"
PIDorrestein
Data CollectorGarg_Neha
CAS NumberN/A
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesCC1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078917
Precursor M/Z323.185
Exact Mass322.178
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION1
SPLASH Keysplash10-0a4r-0963000000-2c266e9dc398bff64aea
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1Comment"(7R)-7,15,17-trihydroxy-11-methyl-12-oxabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one"Dorrestein[M+H]Garg_Neha323.185negargN/A2014-05-06 20:38:41.0

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