GNPS Library Spectrum CCMSLIB00005723849

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005723849
Compound Nameh_315_oxymetholone_m2
PIMehdi Beniddir
Data CollectorAnis Elloumi
Pubmed
CAS Number
Original Submittermpanitchpakdi
Most Recent Revisormpanitchpakdi
Library QualityGold Spectrum
SmilesC[C@@]12C(CCC3C2CCC4=C3CC[C@@]4(C)CO)CC([C@@H](C)C1)=O
InChIInChI=1S/C21H32O2/c1-13-11-21(3)14(10-19(13)23)4-5-15-16-8-9-20(2,12-22)17(16)6-7-18(15)21/h13-15,18,22H,4-12H2,1-3H3/t13-,14?,15?,18?,20-,21-/m0/s1
Structure
NPAtlas/MIBiG
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Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-LIBRARY:accession:CCMSLIB00005723849
Precursor M/Z281.226
Exact Mass316.24
Charge1
AdductM-2H2O+H
Ion SourceESI
InstrumentqTof
Ion ModePositive
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Library MembershipGNPS-LIBRARY
SPLASH Keynull-null-null-null
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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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1Commenth_315_oxymetholone_m2Mehdi BeniddirM-2H2O+HAnis Elloumi281.226mpanitchpakdi2020-07-02 09:57:10.0

Spectrum ID Ratings