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Spectrum EAD002313 for [4a,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-5-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate_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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COc1ccc(C=CC(=O)OC2CC(C)(O)C3C(OC4OC(CO)C(O)C(O)C4O)OC=CC23O)cc1
Mass Spectral Metadata
Name
Value
retentiontime
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1.6481971149609205
spectrum type
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MS2
precursormz
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547.1785945
formula
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C25H32O12
exactmass
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524.1893765
precursor type
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[M+Na]+
ion mode
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P
spectrum entropy
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3.1079526
normalized entropy
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0.0905024730263827
origin
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ead_pfp.msp