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Spectrum EAD002054 for Catechin Pentaacetate_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
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Compound Metadata
Name
Value
SMILES
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CC(=O)Oc1cc(OC(C)=O)c2c(c1)OC(c1ccc(OC(C)=O)c(OC(C)=O)c1)C(OC(C)=O)C2
Mass Spectral Metadata
Name
Value
retentiontime
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2.3323495385401456
spectrum type
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MS2
precursormz
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501.1391381
formula
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C25H24O11
exactmass
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500.1318616
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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3.7837296
normalized entropy
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0.1438212417760945
origin
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ead_pfp.msp