GNPS Library Spectrum CCMSLIB00000078901

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078901
Compound NameTopotecan Hydrochloride
PIDorrestein
Data CollectorGarg_Neha
CAS NumberN/A
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesCC[C@@]1(O)C(=O)OCc2c1cc3-c4nc5ccc(O)c(CN(C)C)c5cc4Cn3c2=O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078901
Precursor M/Z422.171
Exact Mass421.164
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION1
SPLASH Keysplash10-00b9-0019400000-11f24a2a9b88f6c67514
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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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1CommentTopotecan HydrochlorideDorrestein[M+H]Garg_Neha422.171negargN/A2014-05-06 20:38:41.0

Spectrum ID Ratings