Spectrum CCMSLIB00004722180 for Phytol; (E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-ol

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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
150-86-7
InChI=1S/C20H40O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h15,17-19,21H,6-14,16H2,1-5H3/b20-15+/t18-,19-/m1/s1
C20H40O
296.3079159
OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C
BOTWFXYSPFMFNR-PYDDKJGSSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Other
Orbitrap
0.0
1
f.rmenezes/MS2_spectra/rime5941_181208_Phytol_4ul.mzXML;
MS2
GNPS-LIBRARY
rmenezes, Riya Menezes, Ales Svatos
positive
2.395925419233855
0.7190211200776148
297.315
[M+H]+
2.9796680289064357 ppm
-8.859000000143169E-4 Da