Debug Info

object
{15}
_id
:
DMzB8sV0fdD
spectrumID
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DMzB8sV0fdD
cost
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1
specType
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131072
xnmrNucleus
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0
dbLocation
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WMS3X:474391:1
hasStructureAssignments
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false
properties
{15}
analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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false
spectralOutlier
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false
compound
{10}
lastUpdated
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1735074081058
isDeprecated
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false

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(22-E)-24-CHOLESTA-1,4,22-TRIEN-3-ONE
SpectraBase Compound ID 2JUbOp69vCf
InChI InChI=1S/C26H38O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,12,14,16-18,21-24H,8-11,13,15H2,1-5H3/b7-6+/t18-,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey JSHASXVESQAJJO-MZXJRKPGSA-N
Mol Weight 366.6 g/mol
Molecular Formula C26H38O
Exact Mass 366.292266 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMzB8sV0fdD
Name (22E)-24-Norcholesta-1,4,22-trien-3-one
Appearance White powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H38O
InChI InChI=1S/C26H38O/c1-17(2)6-7-18(3)22-10-11-23-21-9-8-19-16-20(27)12-14-25(19,4)24(21)13-15-26(22,23)5/h6-7,12,14,16-18,21-24H,8-11,13,15H2,1-5H3/b7-6+/t18-,21+,22-,23+,24+,25+,26-/m1/s1
InChIKey JSHASXVESQAJJO-MZXJRKPGSA-N
Instrument Name Finnigan-MAT-95
Ionization Type EI
Literature Reference DOI 10.1021/np100562n
Molecular Weight 366.589 g/mol
Reported Formula C26H38O
SMILES C1=C[C@]2(C(=CC1=O)CC[C@@]1([C@@]2(CC[C@]2([C@]1(CC[C@]2([H])[C@](C)(\C=C\C(C)C)[H])[H])C)[H])[H])C
SPLASH splash10-00di-5912000000-13de4baa2be9d11a6c1c
Source of Spectrum G4-74-179-9
Wiley ID 1849040
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