MassBank Record: MSBNK-UOEH-UO000021
ACCESSION: MSBNK-UOEH-UO000021
RECORD_TITLE: (3R,7R,11S,15S,18S,22S,26R,30R)-3,7,11,15,18,22,26,30-Octamethyldotriacontane-1,32-diol; FAB-B; MS
DATE: 2016.01.19 (Created 2009.06.10, modified 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$NAME: (3R,7R,11S,15S,18S,22S,26R,30R)-3,7,11,15,18,22,26,30-Octamethyldotriacontane-1,32-diol
CH$COMPOUND_CLASS: Prenol Lipids
CH$FORMULA: C40H82O2
CH$EXACT_MASS: 594.63148
CH$SMILES: C(CC(C)CCO)CC(C)CCCC(C)CCCC(C)CCC(C)CCCC(C)CCCC(C)CCCC(C)CCO
CH$IUPAC: InChI=1S/C40H82O2/c1-33(15-9-17-35(3)21-13-25-39(7)29-31-41)19-11-23-37(5)27-28-38(6)24-12-20-34(2)16-10-18-36(4)22-14-26-40(8)30-32-42/h33-42H,9-32H2,1-8H3
CH$LINK: NIKKAJI
J1.922.685I
CH$LINK: INCHIKEY
YIAFMQBFTHBWLC-UHFFFAOYSA-N
CH$LINK: PUBCHEM
CID:14035647
AC$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$MASS_SPECTROMETRY: MATRIX nitrobenzyl alcohol
MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-0002-1119784211-38bdfe7e75e9ac31742d
PK$NUM_PEAK: 680
PK$PEAK: m/z int. rel.int.
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//
