GNPS Library Spectrum CCMSLIB00005755633

398.000
398.001
398.002
398.003
398.004
398.005
398.006
398.007
398.008
398.009
398.010
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Latest Library Spectrum Information
Spectrum IDCCMSLIB00005755633
Compound NameMassbank:PS080201 5,22-Cholestadien-24beta-methyl-3beta-ol|Ergosta-5,22-dien-3-ol|Ergosta-5,22(E)-dien-3beta-ol|Brassicasterol
PIMassbank
Data CollectorMassbank
CAS Number474-67-9
Original Submittermwang87
Most Recent Revisormwang87
Library QualityBronze Spectrum
SmilesCC(C)C(C)C=CC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
InChI1S/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-9,18-20,22-26,29H,10-17H2,1-6H3
Structure
NPAtlas/MIBiG
External Chemical ResourcesView All External Resources
Metabolomics Spectrum Resolvermzspec:GNPS:MASSBANK:accession:CCMSLIB00005755633
Precursor M/Z398.5
Exact Mass0.0
Charge1
AdductM+H
Ion SourceESI
InstrumentQQQ
Ion ModePositive
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Library MembershipMASSBANK
SPLASH Keynull-null-null-null
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CommentCompound NamePIAdductData_CollectorPrecursor_MZuser_idPubmed IDTime
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1CommentMassbank:PS080201 5,22-Cholestadien-24beta-methyl-3beta-ol|Ergosta-5,22-dien-3-ol|Ergosta-5,22(E)-dien-3beta-ol|BrassicasterolMassbankM+HMassbank398.5mwang87N/A2020-11-16 20:03:48.0

Spectrum ID Ratings