MassBank Record: UO000004

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2,3-di-O-Phytanyl-sn-glycerol-1-phosphoserine; FD-B; MS
Mass Spectrum
Chemical Structure
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ACCESSION: UO000004
RECORD_TITLE: 2,3-di-O-Phytanyl-sn-glycerol-1-phosphoserine; FD-B; MS
DATE: 2016.01.19 (2009.05.29, 2011.05.06)
AUTHORS: Hiroyuki Morii, Department of Chemistry, University of Occupational and Environmental Health
LICENSE: CC BY-SA
PUBLICATION: Morii, H., Nishihara, M., Ohga, M., and Koga, Y. 1986. A diphytanyl ether analog of phosphatidylserine from a methanogenic bacterium, Methanobrevibacter arboriphilus. J Lipid Res. 27: 724-730.

CH$NAME: 2,3-di-O-Phytanyl-sn-glycerol-1-phosphoserine CH$NAME: archaetidylserine CH$COMPOUND_CLASS: Glycerophospholipids; Glycerophosphoserines; Dialkylglycerophosphoserines CH$FORMULA: C46H94NO8P CH$EXACT_MASS: 819.67171 CH$SMILES: C[C@H](CCC[C@H](C)CCCC(C)C)CCC[C@@H](C)CCOC[C@H](COP(=O)(O)OC[C@H](C(=O)O)N)OCC[C@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C CH$IUPAC: InChI=1S/C46H94NO8P/c1-36(2)17-11-19-38(5)21-13-23-40(7)25-15-27-42(9)29-31-52-33-44(34-54-56(50,51)55-35-45(47)46(48)49)53-32-30-43(10)28-16-26-41(8)24-14-22-39(6)20-12-18-37(3)4/h36-45H,11-35,47H2,1-10H3,(H,48,49)(H,50,51)/t38-,39-,40-,41-,42-,43-,44-,45-/m1/s1 CH$LINK: CAS 105662-26-8 CH$LINK: LIPIDBANK EEL3026 CH$LINK: INCHIKEY REWAKYJADCBFMU-UFSSTKFDSA-N CH$LINK: PUBCHEM CID:134763479
AC$INSTRUMENT: JMS DX-300/JMS-3500 data system, Japan Electron Optics Laboratory, Japan AC$INSTRUMENT_TYPE: FD-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-001l-9200003500-32a64cd58782615d3a72 PK$NUM_PEAK: 52 PK$PEAK: m/z int. rel.int. 19.0 22.659 523 29.0 4.684 108 42.0 3.814 88 43.0 43.320 999 56.0 7.629 176 57.0 11.184 258 61.0 3.448 80 63.0 2.929 68 68.0 2.182 50 69.0 2.929 68 70.0 10.177 235 71.0 8.087 186 78.0 3.768 87 84.0 6.790 157 88.0 5.371 124 91.0 5.050 116 98.0 5.447 126 99.0 4.867 112 111.0 5.172 119 112.0 5.081 117 119.0 13.260 306 127.0 2.243 52 132.0 2.746 63 137.0 2.349 54 140.0 5.706 132 153.0 2.166 50 161.0 2.899 67 175.0 3.311 76 239.0 4.928 114 326.0 2.258 52 366.0 6.073 140 435.0 2.197 51 634.0 6.851 158 635.0 4.928 114 650.0 2.655 61 651.0 5.310 122 652.0 4.272 99 653.0 22.934 529 654.0 12.710 293 655.0 7.492 173 730.0 5.432 125 731.0 8.224 190 732.0 21.515 496 733.0 35.309 814 734.0 15.030 347 735.0 5.676 131 736.0 2.624 61 804.0 3.387 78 805.0 4.501 104 806.0 2.578 59 843.0 2.304 53 931.0 3.051 70 //