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Spectrum EAD002389 for Theaflavin_minor
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
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as MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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O=c1cc(C2Oc3cc(O)cc(O)c3CC2O)cc2c(C3Oc4cc(O)cc(O)c4CC3O)cc(O)c(O)c2c1O
Mass Spectral Metadata
Name
Value
retentiontime
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1.6099209969598618
spectrum type
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MS2
precursormz
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565.1340527
formula
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C29H24O12
exactmass
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564.1267762
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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4.7609563
normalized entropy
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0.5643115620100791
origin
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ead_pfp.msp