MassBank Record: UO000026



 2,3-di-O-Sesterterpanyl-sn-glycerol acetate; FAB-B; MS 
Mass Spectrum
Chemical Structure
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ACCESSION: UO000026
RECORD_TITLE: 2,3-di-O-Sesterterpanyl-sn-glycerol acetate; FAB-B; MS
DATE: 2016.01.19 (2009.06.19, 2011.05.06)
AUTHORS: , Hiroyuki Morii, Department of Environmental Management, and Chemistry, University of Occupational and Environmental Health
LICENSE: CC BY-SA
PUBLICATION: Morii, H., Yagi, H., Akutsu, H., Nomura, N., Sako, Y., and Koga, Y. 1999 A novel phosphoglycolipid archaetidyl(glucosyl)inositol with two sesterterpanyl chains from the aerobic hyperthermophilic archaeon Aeropyrum pernix K1 Biochim.Biophys.Acta ,1436 : 426-436

CH$NAME: 2,3-di-O-Sesterterpanyl-sn-glycerol acetate CH$COMPOUND_CLASS: Glycerolipids; Diradylglycerols; Dialkylglycerols CH$FORMULA: C55H110O4 CH$EXACT_MASS: 834.84041 CH$SMILES: C(CC(CCOCC(COC(C)=O)OCCC(CCCC(CCCC(C)CCCC(CCCC(C)C)C)C)C)C)CC(C)CCCC(C)CCCC(C)CCCC(C)C CH$IUPAC: InChI=1S/C55H110O4/c1-44(2)22-14-24-46(5)26-16-28-48(7)30-18-32-50(9)34-20-36-52(11)38-40-57-42-55(43-59-54(13)56)58-41-39-53(12)37-21-35-51(10)33-19-31-49(8)29-17-27-47(6)25-15-23-45(3)4/h44-53,55H,14-43H2,1-13H3 CH$LINK: INCHIKEY JVQLKIMAYJXGOV-UHFFFAOYSA-N CH$LINK: PUBCHEM CID:132993935
AC$INSTRUMENT: JEOL JMS DX-303 AC$INSTRUMENT_TYPE: FAB-B AC$MASS_SPECTROMETRY: MS_TYPE MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$MASS_SPECTROMETRY: IONIZATION FAB AC$MASS_SPECTROMETRY: MATRIX glycerol
MS$FOCUSED_ION: ION_TYPE [M]+*
PK$SPLASH: splash10-014r-0009811130-640a4d58a29662aa5d1e PK$NUM_PEAK: 657 PK$PEAK: m/z int. rel.int. 300.0 36 36 301.0 50 50 302.0 31 31 303.0 32 32 304.0 27 27 305.0 37 37 306.0 24 24 307.0 36 36 308.0 27 27 309.0 48 48 311.0 57 57 312.0 260 260 313.0 104 104 314.0 44 44 315.0 45 45 317.0 37 37 318.0 27 27 319.0 63 63 320.0 27 27 321.0 28 28 322.0 25 25 323.0 32 32 324.0 28 28 325.0 56 56 326.0 37 37 327.0 44 44 329.0 44 44 330.0 75 75 331.0 32 32 332.0 32 32 333.0 125 125 335.0 38 38 336.0 23 23 337.0 30 30 338.0 30 30 339.0 74 74 341.0 48 48 342.0 33 33 343.0 33 33 344.0 61 61 345.0 32 32 347.0 34 34 348.0 31 31 349.0 36 36 350.0 28 28 351.0 32 32 353.0 40 40 354.0 28 28 355.0 42 42 356.0 29 29 357.0 41 41 359.0 29 29 360.0 36 36 361.0 25 25 362.0 30 30 363.0 23 23 365.0 30 30 366.0 44 44 369.0 96 96 370.0 66 66 371.0 66 66 372.0 314 314 373.0 96 96 374.0 32 32 375.0 46 46 376.0 29 29 377.0 22 22 378.0 32 32 379.0 22 22 380.0 40 40 381.0 23 23 383.0 39 39 384.0 31 31 385.0 32 32 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