MassBank Record: UO000020



 H-shaped caldarchaeol alcohol; FAB-B; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: UO000020
RECORD_TITLE: H-shaped caldarchaeol  alcohol; FAB-B; MS
DATE: 2016.01.19 (2009.06.10, 2011.05.06)
AUTHORS: , Hiroyuki Morii, Department of Chemistry, University of Occupational and Environmental Health
LICENSE: CC BY-SA
PUBLICATION: Morii, H., Eguchi, T., Nishihara, M., Kakinuma, K., Konig, H., and Koga, Y. 1998. A novel ether core lipid with H-shaped C80-isoprenoid hydrocarbon chain from the hyperthermophilic methanogen Methanothermus fervidus. Biochim Biophys Acta. 1390 : 339-345

CH$NAME: H-shaped caldarchaeol alcohol CH$COMPOUND_CLASS: Prenol Lipids CH$FORMULA: C80H162O4 CH$EXACT_MASS: 1187.24731 CH$SMILES: C(C)(CCCC(CCCC(CCO)C)C)CCCC(CC(CCC(CCCC(C)CCCC(CCO)C)C)C(C)CCC(CCCC(CCCC(CCCC(CCO)C)C)C)C)CCC(CCCC(CCCC(CCCC(C)CCO)C)C)C CH$IUPAC: InChI=1S/C80H162O4/c1-64(27-16-29-66(3)36-22-43-74(11)55-59-81)33-19-40-71(8)49-52-78(15)80(54-51-73(10)42-21-35-69(6)39-25-46-77(14)58-62-84)63-79(48-26-47-70(7)32-18-31-68(5)38-24-45-76(13)57-61-83)53-50-72(9)41-20-34-65(2)28-17-30-67(4)37-23-44-75(12)56-60-82/h64-84H,16-63H2,1-15H3 CH$LINK: INCHIKEY ZFXOLWPXCXHYKQ-UHFFFAOYSA-N
AC$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]+
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