GNPS Library Spectrum CCMSLIB00000004248

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Latest Library Spectrum Information
Spectrum IDCCMSLIB00000004248
Compound NameMethylprednisolone
PISirenas
Data CollectorEd Esquenazi
CAS NumberN/A
Original Submittermwang87
Most Recent Revisorkimkami2
Library QualityBronze Spectrum
SmilesC[C@H]1C[C@H]2[C@@H]3CC[C@@]([C@]3(C[C@@H]([C@@H]2[C@@]4(C1=CC(=O)C=C4)C)O)C)(C(=O)CO)O
InChIInChI=1S/C22H30O5/c1-12-8-14-15-5-7-22(27,18(26)11-23)21(15,3)10-17(25)19(14)20(2)6-4-13(24)9-16(12)20/h4,6,9,12,14-15,17,19,23,25,27H,5,7-8,10-11H2,1-3H3/t12-,14-,15-,17-,19+,20-,21-,22-/m0/s1
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:GNPS-SELLECKCHEM-FDA-PART1:accession:CCMSLIB00000004248
Precursor M/Z375.217
Exact Mass374.209
Charge1
AdductM+H
Ion SourceLC-ESI
InstrumentqTof
Ion ModePositive
Spectrum Provenance Input FileDownload Provenance File
Download Library Spectrum PeaksDownload Spectrum Peaks
Library MembershipGNPS-SELLECKCHEM-FDA-PART1
SPLASH Keysplash10-0a4r-0349000000-65cfeef184f5df4f4e6e
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Spectrum Tags

Datasets ID
Hits 1 ~ 6 out of 6     Go to   
TypeDescriptionDatabaseURLURLRemove Tag
checked only
1Drug ClassCorticosteroidlinkout
2Disease StateInflammationlinkout
3Disease StateSevere allergieslinkout
4Drug ClassGlucocorticoidlinkout
5Disease StateGlucocorticoidlinkout
6Disease StateCOPDlinkout

Spectrum Annotation History

Spectrum Annotations and Comments
Hits 1 ~ 2 out of 2     Go to   
CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
checked only
1CommentMethylprednisoloneSirenasM+HEd Esquenazi 375.217kimkami2N/A2021-03-18 20:17:47.0
2CommentMethylprednisoloneSirenasM+HEd Esquenazi 375.217mwang87N/A2014-02-06 15:58:45.0

Spectrum ID Ratings