GNPS Library Spectrum CCMSLIB00000076988

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000076988
Compound NameDuvadilan
PIDorrestein
Data CollectorGarg_Neha
CAS NumberN/A
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesN/A
InChICC(COc1ccccc1)NC(C)C(O)c2ccc(O)cc2
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION2:accession:CCMSLIB00000076988
Precursor M/Z302.177
Exact Mass301.168
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION2
SPLASH Keysplash10-0uei-1795000000-d176972342c0afd631b6
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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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1CommentDuvadilanDorrestein[M+H]Garg_Neha302.177negargN/A2014-04-21 17:25:35.0

Spectrum ID Ratings