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Details of Lithocholic acid (2TMS)

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Role Analyte
nameLithocholic acid (2TMS)
MPIMP IDA329007
isotopomerambient
formulaC30H56O3Si2
molecular mass520.936
monoisotopic mass520.37680
InChIInChI=1S/C30H56O3Si2/c1-21(10-15-28(31)33-35(7,8)9)25-13-14-26-24-12-11-22-20-23(32-34(4,5)6)16-18-29(22,2)27(24)17-19-30(25,26)3/h21-27H,10-20H2,1-9H3/t21-,22?,23-,24+,25-,26+,27+,29+,30-/m1/s1
InChIKeyPZEKZBLVDCPZQL-NIOFGOEOSA-N
substructure TMS2
substructure TBS0
substructure H3ON0
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)3,298.55
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2778a1b071-8006-46a6-9508-41cba5d7964f%27)

Synonyms of Lithocholic acid (2TMS)

propertyvalue
synonymB000661
synonymLithocholic acid (2TMS)
2 synonym(s)

Metabolite mapped to Lithocholic acid (2TMS)

Reference spectra of Lithocholic acid (2TMS)

replicaentry datedetectionmethodspecies
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM MDN35Reference Substance
2 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed at 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users Hummel J.
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