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Spectrum EAD000713 for Ehretioside B_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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as MoNA JSON Record
Compound Metadata
Name
Value
SMILES
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N#CCc1ccc(O)cc1OC1OC(CO)C(O)C(O)C1O
Mass Spectral Metadata
Name
Value
retentiontime
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0.2516754631849873
spectrum type
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MS2
precursormz
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329.1343249
formula
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C14H17NO7
exactmass
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311.1005019
precursor type
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[M+NH4]+
ion mode
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P
spectrum entropy
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3.634914
normalized entropy
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0.2861648101387013
origin
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ead_pfp.msp