GNPS Library Spectrum CCMSLIB00000085314

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000085314
Compound NameMLS002172467-01!Podofilox
PIDorrestein
Data CollectorVP/LMS
CAS NumberN/A
Original Submittervphelan
Most Recent Revisorvphelan
Library QualityGold Spectrum
SmilesCOc1cc(cc(OC)c1OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@@H](O)c4cc5OCOc5cc24
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE:accession:CCMSLIB00000085314
Precursor M/Z415.131
Exact Mass414.131
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-SMALLMOLECULEPHARMACOLOGICALLYACTIVE
SPLASH Keysplash10-00ks-2963000000-b25b106b59de4143117b
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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
MLS002172467-01
Podofilox
DorresteinM+HVP/LMS415.131vphelanN/A2014-05-31 16:00:37.0

Spectrum ID Ratings