MassBank Record: FFF00184



 Epiandrosterone; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00184
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:20 V; [M-H2O+H]+
DATE: 2016.01.19 (2011.04.05, 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$NAME: Epiandrosterone CH$NAME: 3-beta-Hydroxy-5alpha-androstan-17-one CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H30O2 CH$EXACT_MASS: 290.22458 CH$SMILES: OC(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1 CH$IUPAC: InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-16,20H,3-11H2,1-2H3/t12-,13-,14?,15?,16?,18?,19?/m0/s1 CH$LINK: CAS 481-29-8 CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-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 273.200012 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0ab9-0690000000-bc1a1f98b51aef8b82a9 PK$NUM_PEAK: 250 PK$PEAK: m/z int. rel.int. 39.099998 1350.500000 1 39.299999 1350.500000 1 40.599998 1350.500000 1 40.900002 1350.500000 1 42.650000 2701.000000 1 43.000000 2701.000000 1 44.000000 2701.000000 1 52.900002 1350.500000 1 53.150000 2701.000000 1 54.984615 17556.500000 1 56.950001 2701.000000 1 57.299999 1350.500000 1 59.200001 1350.500000 1 61.500000 1350.500000 1 64.900002 1350.500000 1 65.099998 2701.000000 1 65.900002 1350.500000 1 66.199997 1350.500000 1 67.107408 72927.000000 3 68.862502 10804.000000 1 69.129998 13505.000000 1 71.237499 10804.000000 1 71.599998 1350.500000 1 72.400002 1350.500000 1 72.900002 1350.500000 1 75.000000 1350.500000 1 76.099998 1350.500000 1 76.500000 2701.000000 1 76.800003 12154.500000 1 77.081249 21608.000000 1 77.400002 4051.500000 1 77.900002 2701.000000 1 78.149998 8103.000000 1 79.109373 86432.000000 3 81.112797 453768.000000 18 82.000000 5402.000000 1 82.500000 9453.500000 1 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