MassBank Record: UO000008



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

ACCESSION: UO000008
RECORD_TITLE: 2,3-di-O-Phytanyl-sn-glycerol phosphate; 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$NAME: 2,3-di-O-Phytanyl-sn-glycerol phosphate CH$COMPOUND_CLASS: Glycerophospholipids; Glycerophosphates; Dialkylglycerophosphates CH$FORMULA: C43H89O6P CH$EXACT_MASS: 732.63968 CH$SMILES: O(C(COP(O)(O)=O)COCCC(CCCC(CCCC(C)CCCC(C)C)C)C)CCC(C)CCCC(CCCC(C)CCCC(C)C)C CH$IUPAC: InChI=1S/C43H89O6P/c1-35(2)17-11-19-37(5)21-13-23-39(7)25-15-27-41(9)29-31-47-33-43(34-49-50(44,45)46)48-32-30-42(10)28-16-26-40(8)24-14-22-38(6)20-12-18-36(3)4/h35-43H,11-34H2,1-10H3,(H2,44,45,46) CH$LINK: CAS 61596-51-8 CH$LINK: INCHIKEY UKQGAMWGTOTQPC-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:4476326
AC$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: splash10-0a6u-9100000000-247252a3adff9a03ba4a PK$NUM_PEAK: 29 PK$PEAK: m/z int. rel.int. 58.0 255.207 379 59.0 494.010 733 63.0 243.533 362 71.0 259.754 386 79.0 672.922 999 91.0 576.882 856 96.0 80.903 120 97.0 274.799 408 110.0 96.208 143 137.0 104.463 155 151.0 20.141 30 171.0 5.020 7 181.0 17.776 26 183.0 112.733 167 184.0 10.086 15 185.0 1.953 3 193.0 2.716 4 195.0 2.136 3 197.0 2.059 3 211.0 2.594 4 227.0 2.716 4 231.0 5.554 8 275.0 5.020 7 293.0 4.272 6 433.0 3.784 6 449.0 1.968 3 729.0 3.738 6 731.0 20.065 30 732.0 5.920 9 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)