MassBank Record: FFF00164



 Campesterol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00164
RECORD_TITLE: Campesterol; LC-APPI-QQ; MS2; CE:10 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 0.820833 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-0009000000-52534c84874615b9b817 PK$NUM_PEAK: 224 PK$PEAK: m/z int. rel.int. 57.400002 1850.500000 1 70.500000 1850.500000 1 70.900002 5551.500000 1 76.800003 1850.500000 1 79.199997 1850.500000 1 80.599998 3701.000000 1 80.900002 7402.000000 1 81.400002 7402.000000 1 81.900002 1850.500000 1 83.000000 3701.000000 1 84.900002 5551.500000 1 85.300003 3701.000000 1 92.800003 1850.500000 1 94.199997 3701.000000 1 94.400002 1850.500000 1 94.950001 11103.000000 1 95.199997 7402.000000 1 95.599998 1850.500000 1 96.000000 1850.500000 1 96.199997 3701.000000 1 96.500000 9252.500000 1 96.900002 7402.000000 1 97.199997 7402.000000 1 97.400002 7402.000000 1 98.000000 1850.500000 1 98.900002 1850.500000 1 99.300003 1850.500000 1 105.049999 7402.000000 1 107.149998 7402.000000 1 108.400002 5551.500000 1 109.300003 7402.000000 1 110.500000 1850.500000 1 111.000000 9252.500000 1 111.699997 3701.000000 1 112.699997 1850.500000 1 113.400002 1850.500000 1 117.800003 1850.500000 1 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