Spectrum CA000179 for beta-Tocotrienol

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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
Natural Product; Lipid
InChI=1S/C28H42O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h11,13,15,19,29H,8-10,12,14,16-18H2,1-7H3/b21-13+,22-15+/t28-/m1/s1
FGYKUFVNYVMTAM-WAZJVIJMSA-N
C28H42O2
410.318480584
OC=1C=C(C=2OC(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)CCC2C1C)C

Mass Spectral Metadata

NameValue
CA000179
2016.01.19 (Created 2007.03.15, modified 2011.05.10)
Akimoto N, Graduate School of Pharmaceutical Sciences, Kyoto University and Maoka T, Research Institute for Production Development
CC BY-SA
410.31848
JMS-HX/HX 110A, JEOL
FAB-EBEB
MS2
5 mA
6 kV xenon
3 kV
Ar
adjust to attenuate the intensity of the precursor ion by 30 %
FAB
1-2 uL m-NBA+LiI
stainless-steel
positive
3.949369858879336
0.6193412217816231
416.33
[M-H+Li]+*