MassBank Record: FFF00158



 Epicholestanol; LC-APPI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00158
RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS
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 MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min
MS$FOCUSED_ION: BASE_PEAK 371.600006 MS$FOCUSED_ION: ION_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0089000000-142d3a327e915821862e PK$NUM_PEAK: 183 PK$PEAK: m/z int. rel.int. 201.196014 14002666.000000 56 203.171367 28781090.500000 116 205.185759 18964819.500000 77 207.204591 16927140.500000 68 209.161599 7470989.500000 30 211.160585 8207735.000000 33 213.137693 7467988.500000 30 215.206513 42617201.000000 172 216.237156 10350449.000000 42 217.237307 19494496.000000 79 219.186289 14992996.000000 60 221.179741 8561853.000000 35 223.131413 6539179.000000 26 224.178546 1650550.000000 7 225.184664 4755084.500000 19 227.166180 4312437.000000 17 228.229905 1575525.000000 6 229.180163 6444647.500000 26 231.213249 18415636.500000 74 233.228538 14248748.000000 57 235.180839 6045514.500000 24 237.145417 26678890.000000 108 238.130408 6839279.000000 28 239.167704 6123540.500000 25 240.228618 1389463.000000 6 241.261908 5412303.500000 22 243.267079 11631876.000000 47 245.248061 20199731.000000 81 247.240987 15566187.000000 63 249.175898 6599199.000000 27 251.149753 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