ACCESSION: MSBNK-PFOS_research_group-FFF00049
RECORD_TITLE: 24-Ethylepicoprostanol; LC-APPI-QQ; MS
DATE: 2016.01.19 (Created 2011.03.01, modified 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
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//
