Name | Value |
---|---|
Natural Product; Sphingolipids; Phosphosphingolipids; Ceramide phosphocholines (sphingomyelins) | |
InChI=1S/C43H87N2O6P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-43(47)44-41(40-51-52(48,49)50-39-38-45(3,4)5)42(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h34,36,41-42,46H,6-33,35,37-40H2,1-5H3,(H-,44,47,48,49)/b36-34+/t41-,42+/m1/s1 | |
AADLTHQNYQJHQV-XACAWUTQSA-N | |
C43H87N2O6P | |
758.6301751340001 | |
O=P([O-])(OCC[N+](C)(C)C)OCC(N=C(O)CCCCCCCCCCCCCCCCCCC)C(O)C=CCCCCCCCCCCCCC |
Name | Value |
---|---|
UT002740 | |
2016.01.19 (Created 2010.05.07, modified 2011.08.03) | |
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 | |
758.63018 | |
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 | |
37.19 min (in paper: 37.1 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 | |
0.13564697828477928 | |
0.05288485633846025 | |
817.64 | |
[M+HAc-H]- |