MassBank Record: FFF00049



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

ACCESSION: FFF00049
RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS
DATE: 2016.01.19 (2011.03.01, 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$NAME: 24-Ethylepicoprostanol CH$COMPOUND_CLASS: Natural Product; Sterol CH$FORMULA: C29H52O CH$EXACT_MASS: 416.40182 CH$SMILES: [H]C(C([H])23)(CCC(C)(C4C(C)CCC(C(C)C)CC)C(CC4)3[H])C(C(CC2)1[H])(CCC(O)C1)C CH$IUPAC: InChI=1S/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3/t20-,21+,22-,23-,24+,25?,26+,27+,28+,29-/m1/s1 CH$LINK: CAS 5060-24-2 CH$LINK: INCHIKEY LGJMUZUPVCAVPU-RFCGSYLUSA-N
AC$INSTRUMENT: API2000 AC$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 437.500000 MS$FOCUSED_ION: ION_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0002-0069200000-8571c26235bda2e2de05 PK$NUM_PEAK: 185 PK$PEAK: m/z int. rel.int. 201.203564 14736410.500000 24 202.143692 9801266.000000 16 203.185737 21650714.500000 35 205.193680 16428974.500000 27 207.207783 9523673.500000 15 209.233880 11612369.500000 19 210.216377 4049849.500000 7 211.201573 11820939.000000 19 213.166908 10547014.500000 17 214.242606 6413137.000000 10 215.226814 23110701.000000 38 216.240281 7148382.000000 12 217.245770 13975657.000000 23 219.209049 11838945.000000 19 221.208464 8332276.500000 14 222.207984 2894464.500000 5 223.216801 8359285.500000 14 225.293379 28462984.500000 46 226.257817 9099032.000000 15 227.236141 9582193.000000 16 228.263340 5803934.000000 9 229.219503 9063020.000000 15 231.252933 25223405.000000 41 232.253705 9295597.500000 15 233.242163 8960986.000000 15 235.232843 10818605.000000 18 237.232242 13933643.000000 23 238.198026 4256918.500000 7 239.226491 9130542.500000 15 241.315718 29670887.000000 48 243.278988 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