MassBank Record: FFF00156



 Epicholestanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00156
RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
DATE: 2016.01.19 (2011.04.04, 2011.06.20)
AUTHORS: , Atsushi Yamamoto, PFOS.jp
LICENSE: CC BY-SA
COPYRIGHT: PFOS.jp
COMMENT: Disclaimer: While authors make an effort to ensure that the content of this record is accurate, the authors make no representations or warranties in relation to the accuracy or completeness of the record. This record do not reflect any viewpoints of the affiliation and organization to which the authors belong.

CH$NAME: Epicholestanol CH$COMPOUND_CLASS: Natural Product; Sterol CH$FORMULA: C27H48O CH$EXACT_MASS: 388.37052 CH$SMILES: C(C)(C1)(C(C(C)CCCC(C)C)4)C(CC4)C(C2)C(C(C)(C3)C([H])(CC(C3)O)C2)C1 CH$IUPAC: InChI=1S/C27H48O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h18-25,28H,6-17H2,1-5H3/t19?,20-,21+,22?,23?,24?,25?,26?,27?/m0/s1 CH$LINK: CAS 516-95-0 CH$LINK: LIPIDBANK SST0206 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-LNXFVTSZSA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820883 min
MS$FOCUSED_ION: BASE_PEAK 371.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 371.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-1429000000-72963413ce7593ce3c05 PK$NUM_PEAK: 269 PK$PEAK: m/z int. rel.int. 41.400002 1850.500000 1 42.299999 3701.000000 1 43.150000 7402.000000 1 54.299999 1850.500000 1 54.950001 7402.000000 1 55.299999 1850.500000 1 55.500000 1850.500000 1 56.350000 3701.000000 1 57.120000 18505.000000 1 57.400002 7402.000000 1 64.900002 1850.500000 1 66.000000 1850.500000 1 66.199997 3701.000000 1 66.475000 7402.000000 1 67.022222 33309.000000 2 68.400002 5551.500000 1 68.883335 22206.000000 1 69.358335 22206.000000 1 70.199997 3701.000000 1 70.400002 1850.500000 1 70.800003 5551.500000 1 71.000000 9252.500000 1 71.349999 14804.000000 1 72.199997 1850.500000 1 72.699997 1850.500000 1 77.599998 1850.500000 1 78.400002 1850.500000 1 78.900002 1850.500000 1 79.149998 3701.000000 1 79.400002 1850.500000 1 79.599998 1850.500000 1 80.199997 9252.500000 1 81.110680 381203.000000 22 82.000000 1850.500000 1 82.328573 12953.500000 1 83.132259 172096.500000 10 83.900002 3701.000000 1 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