MassBank Record: MSBNK-UOEH-UO000026
ACCESSION: MSBNK-UOEH-UO000026
RECORD_TITLE: 2,3-di-O-Sesterterpanyl-sn-glycerol acetate; FAB-B; MS
DATE: 2016.01.19 (Created 2009.06.19, modified 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.
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//
