MassBank Record: UO000007



 2,3-di-O-Phytanyl-sn-glycerol-1-phosphoserine; FAB-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: UO000007
RECORD_TITLE: 2,3-di-O-Phytanyl-sn-glycerol-1-phosphoserine; FAB-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: [Analytical] ion source Accel Volt 3KV

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$INSTRUMENT_TYPE: FAB-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE NEGATIVE AC$MASS_SPECTROMETRY: BOMBARDMENT 6 KV xenon AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX glycerol plus 15-crown-5
MS$FOCUSED_ION: ION_TYPE [M-H]-
PK$SPLASH: splash10-03dr-0900000000-3b77e64372833f742a03 PK$NUM_PEAK: 25 PK$PEAK: m/z int. rel.int. 105.0 8.316 85 110.0 97.840 999 111.0 37.201 380 123.0 15.701 160 137.0 97.779 998 151.0 13.260 135 167.0 8.194 84 183.0 14.663 150 184.0 15.106 154 193.0 1.846 19 197.0 1.510 15 199.0 1.968 20 207.0 2.960 30 209.0 3.814 39 221.0 1.495 15 223.0 2.700 28 224.0 11.017 112 225.0 1.998 20 226.0 6.424 66 433.0 3.875 40 449.0 1.510 15 729.0 2.670 27 731.0 8.331 85 732.0 4.089 42 818.0 14.175 145 //

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