MassBank Record: FFF00021



 Epicoprostanol; 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: FFF00021
RECORD_TITLE: Epicoprostanol; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+H]+
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$NAME: Epicoprostanol CH$COMPOUND_CLASS: Natural Product; Sterol CH$FORMULA: C27H48O CH$EXACT_MASS: 388.37052 CH$SMILES: CC(C4)(C(CC(O)C4)3)C(C2)C(CC3)C(C1)C(C)(C2)C(C(C)CCCC(C)C)C1 CH$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 CH$LINK: CAS 516-92-7 CH$LINK: LIPIDBANK SST0006 CH$LINK: INCHIKEY QYIXCDOBOSTCEI-UHFFFAOYSA-N
AC$INSTRUMENT: API2000, Applied 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$FOCUSED_ION: BASE_PEAK 371.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 371.471000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0009000000-b17a597dcff5f6e71212 PK$NUM_PEAK: 225 PK$PEAK: m/z int. rel.int. 55.299999 1850.500000 1 68.599998 1850.500000 1 70.950001 3701.000000 1 71.300003 1850.500000 1 80.699997 3701.000000 1 81.183331 11103.000000 1 82.800003 3701.000000 1 83.000000 5551.500000 1 83.199997 3701.000000 1 83.450001 3701.000000 1 93.300001 5551.500000 1 93.900002 1850.500000 1 94.875002 22206.000000 1 96.199997 1850.500000 1 96.900002 9252.500000 1 98.400002 1850.500000 1 98.800003 1850.500000 1 105.000000 1850.500000 1 106.199997 1850.500000 1 106.800003 3701.000000 1 107.300003 1850.500000 1 107.900002 1850.500000 1 108.300003 5551.500000 1 109.081820 40711.000000 2 109.699997 1850.500000 1 110.099998 1850.500000 1 110.800003 11103.000000 1 111.000000 11103.000000 1 112.199997 1850.500000 1 112.699997 1850.500000 1 113.099998 3701.000000 1 118.300003 1850.500000 1 119.099998 1850.500000 1 119.599998 1850.500000 1 120.000000 1850.500000 1 120.500000 3701.000000 1 120.864288 25907.000000 1 121.300003 11103.000000 1 121.500000 3701.000000 1 121.800003 1850.500000 1 123.022222 33309.000000 1 123.599998 1850.500000 1 124.099998 5551.500000 1 124.500000 1850.500000 1 124.699997 11103.000000 1 125.400002 5551.500000 1 125.599998 1850.500000 1 127.099998 3701.000000 1 128.150002 3701.000000 1 128.949997 3701.000000 1 129.199997 1850.500000 1 133.000000 3701.000000 1 133.300003 1850.500000 1 133.500000 1850.500000 1 133.800003 1850.500000 1 134.100006 5551.500000 1 134.938885 33309.000000 1 135.289474 35159.500000 1 135.949997 3701.000000 1 136.199997 1850.500000 1 136.500000 1850.500000 1 136.800003 11103.000000 1 137.313332 27757.500000 1 137.699997 1850.500000 1 139.100001 5551.500000 1 139.399994 5551.500000 1 146.800003 3701.000000 1 147.100006 1850.500000 1 147.399994 3701.000000 1 148.300003 3701.000000 1 149.086541 96226.000000 4 150.100006 3701.000000 1 150.399999 5551.500000 1 150.846151 24056.500000 1 151.338461 48113.000000 2 152.899994 3701.000000 1 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314.449997 3701.000000 1 315.000000 11103.000000 1 315.200012 11103.000000 1 315.500000 22206.000000 1 316.799988 1850.500000 1 328.500000 1850.500000 1 329.299988 1850.500000 1 329.500000 1850.500000 1 338.700012 1850.500000 1 339.100006 3701.000000 1 342.399994 3701.000000 1 352.899994 1850.500000 1 353.200012 7402.000000 1 353.500000 5551.500000 1 353.700012 1850.500000 1 354.299988 1850.500000 1 354.799988 1850.500000 1 355.000000 1850.500000 1 355.299998 5551.500000 1 355.700012 1850.500000 1 356.000000 1850.500000 1 356.600006 7402.000000 1 368.000000 1850.500000 1 368.200012 3701.000000 1 368.399994 1850.500000 1 369.100006 3701.000000 1 369.399994 5551.500000 1 369.600006 5551.500000 1 371.390295 24063902.000000 999 372.799988 3701.000000 1 373.000000 3701.000000 1 //

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