MassBank Record: FFF00255



 Androsterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00255
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:20 V; [M-2H2O+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$NAME: Androsterone CH$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$LINK: CAS 53-41-8 CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 255.300003 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4i-0590000000-06aa293c9bc6e051b1a5 PK$NUM_PEAK: 192 PK$PEAK: m/z int. rel.int. 39.700001 1350.500000 1 40.299999 1350.500000 1 40.599998 2701.000000 1 41.050000 8103.000000 1 42.850000 2701.000000 1 43.199999 5402.000000 1 51.299999 2701.000000 1 52.099998 1350.500000 1 52.549999 2701.000000 1 53.099998 1350.500000 1 53.900002 1350.500000 1 54.299999 1350.500000 1 55.134375 43216.000000 1 55.700001 1350.500000 1 56.500000 1350.500000 1 56.700001 1350.500000 1 56.966667 8103.000000 1 57.266666 8103.000000 1 64.599998 1350.500000 1 65.171427 9453.500000 1 65.599998 1350.500000 1 66.000000 4051.500000 1 67.108695 310615.000000 2 69.109998 108040.000000 1 70.950001 10804.000000 1 73.000000 1350.500000 1 75.699997 1350.500000 1 76.946874 43216.000000 1 79.037073 553705.000000 4 81.098893 4636266.500000 37 83.155491 467273.000000 4 83.800003 4051.500000 1 84.400002 1350.500000 1 85.199997 4051.500000 1 85.400002 2701.000000 1 87.199997 1350.500000 1 87.500000 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125519521.500000 999 257.849991 2701.000000 1 //

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