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Spectrum EAD001189 for (3R,6aR,7S,12aS)-5,6,6a,7,8-pentahydroxy-3-methyl-3,4,5,6,7,12a-hexahydro-2H-benzo[a]anthracene-1,12-dione_major
Originally submitted to the
EAD PFP NP lib
as PFP NP library
PFP NP library
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as JSON (Internal MoNA Format)
as MSP (NIST-compatible)
Submitter:
Fanzhou Kong
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Mass Spectrum
Ion Table / Peak Table
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Compound Information
biological
Chemical Names
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as MOL file
as MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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CC1CC(=O)C2=C(C1)C(O)C(O)C1(O)C2C(=O)c2cccc(O)c2C1O
Mass Spectral Metadata
Name
Value
retentiontime
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0.4093706252248931
spectrum type
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MS2
precursormz
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383.110121
formula
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C19H20O7
exactmass
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360.120903
precursor type
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[M+Na]+
ion mode
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P
spectrum entropy
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5.318592
normalized entropy
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0.4635547462463458
origin
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ead_pfp.msp