MassBank Record: FFF00042



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

ACCESSION: FFF00042
RECORD_TITLE: Cholestanol; LC-APPI-QQ; MS
DATE: 2016.01.19 (2011.01.24, 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$NAME: Cholestanol CH$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$LINK: CAS 80-97-7 CH$LINK: LIPIDBANK SST0005 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-JKUMBUQESA-N
AC$INSTRUMENT: API2000, Applied 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$FOCUSED_ION: BASE_PEAK 371.500000 MS$FOCUSED_ION: ION_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0089000000-131de832b6b41bc5477d PK$NUM_PEAK: 219 PK$PEAK: m/z int. rel.int. 201.174738 14617871.000000 52 202.116533 4864621.000000 17 203.152245 25727573.000000 92 204.138336 6278092.000000 22 205.187044 14962986.000000 53 207.173299 17858951.000000 64 208.168363 4420473.000000 16 209.156139 9948315.000000 36 210.175940 3910303.000000 14 211.161320 11823940.000000 42 212.186240 2649883.000000 9 213.124959 7280426.000000 26 214.191435 3293597.500000 12 215.208831 45601695.500000 163 216.238320 10380459.000000 37 217.228779 15902299.000000 57 218.154220 5083694.000000 18 219.166459 12991329.000000 46 220.151331 3718239.000000 13 221.154792 9708235.000000 35 222.134739 2703901.000000 10 223.146523 6257085.000000 22 224.173132 1887629.000000 7 225.183459 3982327.000000 14 226.207795 1462987.500000 5 227.199716 4229909.500000 15 228.222259 1806602.000000 6 229.163937 5662887.000000 20 230.207550 2822440.500000 10 231.187487 25949647.000000 93 232.212524 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