MassBank Record: FFF00163



 Campesterol; 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: FFF00163
RECORD_TITLE: Campesterol; 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$NAME: Campesterol CH$COMPOUND_CLASS: Natural Product; Sterol CH$FORMULA: C28H48O CH$EXACT_MASS: 400.37052 CH$SMILES: C(C(CCC(C)C(C4)C(C3C4)(C)CCC(C13)C(C2)(C(CC(C2)O)=CC1)C)C)(C)C CH$IUPAC: InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19?,20?,22-,23?,24?,25?,26?,27?,28?/m0/s1 CH$LINK: CAS 474-62-4 CH$LINK: LIPIDBANK SST0036 CH$LINK: INCHIKEY SGNBVLSWZMBQTH-FEGPEKPQSA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 383.500000 MS$FOCUSED_ION: PRECURSOR_M/Z 383.400000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-001i-0329000000-c759c6df372006dc5e38 PK$NUM_PEAK: 284 PK$PEAK: m/z int. rel.int. 40.750000 3701.000000 1 42.299999 1850.500000 1 42.599998 1850.500000 1 43.000000 7402.000000 1 43.400002 1850.500000 1 52.700001 1850.500000 1 53.099998 1850.500000 1 54.599998 3701.000000 1 54.900002 5551.500000 1 55.300000 14804.000000 1 56.400002 5551.500000 1 57.116250 148040.000000 2 57.799999 1850.500000 1 66.599998 1850.500000 1 67.103333 55515.000000 1 68.400002 7402.000000 1 69.125926 99927.000000 2 70.099998 3701.000000 1 70.300003 1850.500000 1 70.599998 20355.500000 1 71.135417 177648.000000 3 72.300003 1850.500000 1 72.900002 3701.000000 1 77.000000 1850.500000 1 77.300003 1850.500000 1 77.800003 1850.500000 1 78.599998 9252.500000 1 79.116666 22206.000000 1 79.733332 11103.000000 1 81.103509 421914.000000 7 81.699997 7402.000000 1 82.325003 7402.000000 1 83.087413 264621.500000 4 84.000000 5551.500000 1 85.116129 229462.000000 4 90.199997 3701.000000 1 90.549999 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