GNPS Library Spectrum CCMSLIB00000078907

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000078907
Compound NameDOXORUBICIN HYDROCHLORIDE
PIDorrestein
Data CollectorGarg_Neha
CAS NumberN/A
Original Submitternegarg
Most Recent Revisornegarg
Library QualityGold Spectrum
SmilesCOc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
InChIN/A
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-NIH-CLINICALCOLLECTION1:accession:CCMSLIB00000078907
Precursor M/Z544.181
Exact Mass543.174
Charge1
Adduct[M+H]
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-NIH-CLINICALCOLLECTION1
SPLASH Keysplash10-006t-0109000000-ac65f689e3fa439adddc
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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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1CommentDOXORUBICIN HYDROCHLORIDEDorrestein[M+H]Garg_Neha544.181negargN/A2014-05-06 20:38:41.0

Spectrum ID Ratings