Spectrum VF-NPL-LTQ007679 for CHOLESTANE

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  • Originally submitted to the Vaniya/Fiehn Natural Products Library

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
XIIAYQZJNBULGD-LDHZKLTISA-N
InChI=1S/C27H48/c1-19(2)9-8-10-20(3)23-14-15-24-22-13-12-21-11-6-7-17-26(21,4)25(22)16-18-27(23,24)5/h19-25H,6-18H2,1-5H3/t20-,21?,22+,23-,24+,25+,26+,27-/m1/s1
C27H48
372.375601536
CC(C)CCCC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C

Mass Spectral Metadata

NameValue
35
NP_UC_2567_p08_G02_POS_iTree_08.raw
positive
Linear Ion Trap
Thermo Finnigan LTQ
Arpana Vaniya
direct infusion
3.50 kV
275 C
ESI Ion Max
0.0
NaN
316.13453165690106
M+K
301578.474769628 ppm
-95.33936987909891 Da