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Spectrum EAD000802 for (1R,3R,4S,5R)-1,3,4-trihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxycyclohexane-1-carboxylic acid_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 MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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O=C(C=Cc1ccc(O)cc1)OC1CC(O)(C(=O)O)CC(O)C1O
Mass Spectral Metadata
Name
Value
retentiontime
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0.4407962309422088
spectrum type
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MS2
precursormz
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339.107444
formula
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C16H18O8
exactmass
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338.1001675
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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2.6584406
normalized entropy
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0.0873269670206552
origin
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ead_pfp.msp