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Spectrum EAD001500 for 6-Hydroxysumatrol_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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C=C(C)C1Cc2c(cc(O)c3c2OC2C(O)Oc4cc(OC)c(OC)cc4C2C3=O)O1
Mass Spectral Metadata
Name
Value
retentiontime
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2.3485374830558623
spectrum type
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MS2
precursormz
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427.1387441
formula
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C23H22O8
exactmass
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426.1314677
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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3.611296
normalized entropy
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0.1989626941631833
origin
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ead_pfp.msp