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Spectrum EAD001656 for 21-hydroxy-10-methoxy-1,4,14,19,19-pentamethyl-2,7,18-trioxapentacyclo[11.9.0.0³,¹¹.0⁵,⁹.0¹⁴,²⁰]docosa-3(11),4,9-triene-8,17-dione_31.2%
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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COc1c2c(c(C)c3c1C(=O)OC3)OC1(C)CC(O)C3C(C)(C)OC(=O)CCC3(C)C1C2
Mass Spectral Metadata
Name
Value
retentiontime
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2.2041018427028902
spectrum type
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MS2
precursormz
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445.2220798
formula
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C25H32O7
exactmass
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444.2148034
precursor type
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[M+H]+
ion mode
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P
spectrum entropy
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4.668
normalized entropy
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0.5007728251471127
origin
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ead_pfp.msp