Spectrum MoNA016117 for Cholesterol-d7

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i1D3,2D3,18D
HVYWMOMLDIMFJA-IFAPJKRJSA-N
C27H46O
393.39880331399996
[H]C(CCCC(C)C1CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C)(C([H])([H])[H])C([H])([H])[H]

Mass Spectral Metadata

NameValue
30 NCE
4.7695 minutes
0eV
Thermo QExactive-HF
LC-ESI-QEHF
Waters Acquity CSH C18 2.1x100mm 1.7 μm Column
Waters Acquity VanGuard CSH C18 1.7 μm Pre-column
Liquid Chromatography (LC)
MS2
Electrospray Ionization (ESI)
Uri Keshet, Raquel Cumeras, Tong Shen, Oliver Fiehn
positive
2.601242481249633
0.8834424824745511
376.3964
[M+H-H2O]+
13.195359998251002 ppm
0.004966686000045684 Da