Name | Value |
---|---|
Natural Product; Glycerophospholipids; Glycerophosphoglycerols; Diacylglycerophosphoglycerols | |
InChI=1S/C44H75O10P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-44(48)54-42(40-53-55(49,50)52-38-41(46)37-45)39-51-43(47)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h13,15,19-20,23-26,29-32,41-42,45-46H,3-12,14,16-18,21-22,27-28,33-40H2,1-2H3,(H,49,50)/b15-13-,20-19-,25-23-,26-24-,31-29-,32-30- | |
YOXNNFKWZGKUBQ-IPVVXUKZSA-N | |
C44H75O10P | |
794.5097852299999 | |
O=C(OCC(OC(=O)CCC=CCC=CCC=CCC=CCCCCCC)COP(=O)(O)OCC(O)CO)CCC=CCC=CCCCCCCCCCC |
Name | Value |
---|---|
UT002689 | |
2016.01.19 (Created 2010.05.07, modified 2013.05.16) | |
Taguchi R, Graduate School of Medicine, The University of Tokyo | |
CC BY-NC-SA | |
Taguchi, R.; Ishikawa, M. Precise and Global Identification of Phospholipid Molecular Species by an Orbitrap Mass Spectrometer and Automated Search Engine Lipid Search. Journal of Chromatography A 2010, 1217 (25), 4229–39. DOI:10.1016/j.chroma.2010.04.034 | |
794.50979 | |
Mus musculus | |
cellular organisms; Eukaryota; Fungi/Metazoa group; Metazoa; Eumetazoa; Bilateria; Coelomata; Deuterostomia; Chordata; Craniata; Vertebrata; Gnathostomata; Teleostomi; Euteleostomi; Sarcopterygii; Tetrapoda; Amniota; Mammalia; Theria; Eutheria; Euarchontoglires; Glires; Rodentia; Sciurognathi; Muroidea; Muridae; Murinae; Mus | |
NCBI-TAXONOMY 10090 | |
liver | |
LC-10ADVPmicro HPLC, Shimadzu; LTQ Orbitrap, Thermo Scientific | |
LC-ESI-ITFT | |
MS2 | |
30% | |
3500 V | |
ESI | |
Develosil C30, Nomura Chemical | |
add 95/5 at 0 min, 70/30 at 40 min, 50/50 at 41 min, 50/50 at 90 min | |
add 100 uL/min | |
7.11 min (in paper: 7.1 min) | |
acetonitrile-methanol-water (19:19:2) with 0.1% acetic acid and 0.1% ammonium hydroxide (28%) | |
2-propanol with 0.1% acetic acid and 0.1% ammonium hydroxide (28%) | |
Xcalibur ver-2.0 | |
negative | |
1.5997524585949578 | |
0.6671485934946728 | |
793.5 | |
[M-H]- | |
3.1622306236587794 ppm | |
-0.0025092299998732415 Da |