MassBank Record: FFF00155



 Epicholestanol; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00155
RECORD_TITLE: Epicholestanol; LC-APPI-QQ; MS2; CE:30 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 108.900002 MS$FOCUSED_ION: PRECURSOR_M/Z 371.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-006t-4921000000-4e9ef1e53d372c593404 PK$NUM_PEAK: 282 PK$PEAK: m/z int. rel.int. 33.099998 1850.500000 1 39.200001 1850.500000 1 40.900002 1850.500000 1 41.200001 3701.000000 1 41.599998 1850.500000 1 42.975000 7402.000000 1 43.299999 7402.000000 1 52.599998 1850.500000 1 53.900002 1850.500000 1 54.200001 3701.000000 1 55.050001 44412.000000 8 56.000000 5551.500000 1 56.400002 9252.500000 2 57.152586 214658.000000 41 58.400002 1850.500000 1 64.099998 22206.000000 4 65.250000 3701.000000 1 65.500000 1850.500000 1 66.000000 5551.500000 1 67.173287 270173.000000 51 68.171429 25907.000000 5 69.066239 433017.000000 82 71.130171 214658.000000 41 73.149998 3701.000000 1 73.400002 1850.500000 1 76.300003 1850.500000 1 76.599998 1850.500000 1 77.099998 3701.000000 1 77.300003 3701.000000 1 77.699997 5551.500000 1 78.000000 3701.000000 1 78.500000 11103.000000 2 78.990909 81422.000000 15 79.500000 16654.500000 3 81.107063 2463015.500000 468 83.102291 1130655.500000 215 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