GNPS Library Spectrum CCMSLIB00000076960

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000076960
Compound Name56131-49-8
PIDorrestein
Data CollectorGarg_Neha
CAS NumberN/A
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesN/A
InChICN/C(=C\[N+](=O)[O-])/NCCSCc1ccc(CN(C)C)o1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION2:accession:CCMSLIB00000076960
Precursor M/Z315.149
Exact Mass314.141
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION2
SPLASH Keysplash10-01di-0934000000-7c7227a3ac57df988aee
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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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1Comment56131-49-8Dorrestein[M+H]Garg_Neha315.149negargN/A2014-04-21 17:25:35.0

Spectrum ID Ratings