MassBank Record: MSBNK-UOEH-UO000025
ACCESSION: MSBNK-UOEH-UO000025
RECORD_TITLE: 2,3-di-O-Sesterterpanyl-sn-glycerol; 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$NAME: 2,3-di-O-Sesterterpanyl-sn-glycerol
CH$NAME: C25,C25-archaeol
CH$COMPOUND_CLASS: Glycerolipids; Diradylglycerols; Dialkylglycerols
CH$FORMULA: C53H108O3
CH$EXACT_MASS: 792.82985
CH$SMILES: C(CC(CCCC(C)CCCC(C)CCOCC(CO)OCCC(C)CCCC(C)CCCC(C)CCCC(CCCC(C)C)C)C)CC(C)CCCC(C)C
CH$IUPAC: InChI=1S/C53H108O3/c1-43(2)21-13-23-45(5)25-15-27-47(7)29-17-31-49(9)33-19-35-51(11)37-39-55-42-53(41-54)56-40-38-52(12)36-20-34-50(10)32-18-30-48(8)28-16-26-46(6)24-14-22-44(3)4/h43-54H,13-42H2,1-12H3
CH$LINK: LIPIDBANK
EEL3003
CH$LINK: INCHIKEY
XKYNJPDAIQTJIU-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:86094160
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: splash10-0006-1009522421-123b8d52771685e7df0b
PK$NUM_PEAK: 659
PK$PEAK: m/z int. rel.int.
299.0 80 80
300.0 97 97
300.4 66 66
301.3 62 62
302.0 58 58
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308.5 159 159
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//
