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Spectrum EAD001952 for (2S,3R,4aS,12bR)-2,3,4a,8-tetrahydroxy-12b-(5-hydroxy-6-methyloxan-2-yl)oxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione_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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CC1OC(OC23C(=O)C(O)C(C)(O)CC2(O)C=CC2=C3C(=O)c3cccc(O)c3C2=O)CCC1O
Mass Spectral Metadata
Name
Value
retentiontime
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1.0934247689231873
spectrum type
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MS2
precursormz
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487.1598735
formula
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C25H26O10
exactmass
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486.152597
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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4.442846
normalized entropy
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0.4144212396660837
origin
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ead_pfp.msp