GNPS Library Spectrum CCMSLIB00000084764

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000084764
Compound NameMLS001401434-01!VINCRISTINE SULFATE
PIDorrestein
Data CollectorVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCC[C@]1(O)C[C@@H]2CN(C1)CCc3c([nH]c4ccccc34)[C@@](C2)(C(=O)OC)c5cc6c(cc5OC)N(C=O)[C@@H]7[C@@]86CCN9CC=C[C@](CC)([C@H]98)[C@@H](OC(=O)C)[C@]7(O)C(=O)OC.OS(=O)(=O)O
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE:accession:CCMSLIB00000084764
Precursor M/Z413.211
Exact Mass824.4
Charge2
AdductM+2H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE
SPLASH Keysplash10-0udi-3779310000-4a4462bc052d17241741
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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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1Comment
MLS001401434-01
VINCRISTINE SULFATE
DorresteinM+2HVP/LMS413.211vphelanN/A2014-05-31 16:00:37.0

Spectrum ID Ratings