MassBank Record: UO000006

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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: UO000006
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.
COMMENT: Ammonium salt of the compound was analyzed

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$SPLASH: splash10-001i-8201003910-4ad7f624ef5f187163b6 PK$NUM_PEAK: 56 PK$PEAK: m/z int. rel.int. 19.0 17.135 239 29.0 5.752 80 31.0 4.135 58 41.0 2.380 33 43.0 42.206 589 44.0 4.455 62 56.0 8.682 121 57.0 7.370 103 61.0 3.067 43 63.0 3.982 56 70.0 7.476 104 71.0 4.791 67 78.0 3.128 44 87.0 2.304 32 88.0 2.777 39 91.0 3.601 50 93.0 5.233 73 106.0 2.731 38 109.0 2.227 31 112.0 3.372 47 113.0 2.258 32 120.0 2.685 37 124.0 2.349 33 131.0 2.166 30 137.0 2.761 39 140.0 3.402 47 155.0 4.333 60 173.0 3.936 55 208.0 2.426 34 227.0 2.166 30 248.0 3.311 46 345.0 2.548 36 366.0 14.312 200 435.0 5.691 79 537.0 2.532 35 652.0 2.792 39 653.0 7.675 107 654.0 21.149 295 655.0 7.461 104 656.0 2.273 32 657.0 2.700 38 678.0 2.746 38 690.0 2.441 34 730.0 2.136 30 731.0 7.766 108 732.0 6.897 96 733.0 71.564 999 734.0 31.357 438 735.0 13.641 190 736.0 3.051 43 800.0 6.164 86 804.0 2.166 30 805.0 7.507 105 806.0 4.165 58 820.0 2.761 39 846.0 2.594 36 //