MassBank Record: FFF00246



 Androsterone; LC-APPI-QQ; MS2; CE:50 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00246
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:50 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$NAME: Androsterone CH$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$FOCUSED_ION: BASE_PEAK 105.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-052f-8900000000-db7e5deecf026f054736 PK$NUM_PEAK: 249 PK$PEAK: m/z int. rel.int. 38.799999 2701.000000 1 39.099998 2701.000000 1 39.299999 6752.500000 1 39.599998 2701.000000 1 40.074999 5402.000000 1 41.071428 189070.000000 14 43.082832 314666.500000 24 43.900002 4051.500000 1 44.099998 1350.500000 1 44.750000 2701.000000 1 45.150000 2701.000000 1 45.400002 1350.500000 1 50.200001 1350.500000 1 50.400002 1350.500000 1 51.000000 5402.000000 1 51.799999 1350.500000 1 52.099998 2701.000000 1 52.450001 16206.000000 1 53.128169 95885.500000 7 55.085089 2191861.500000 165 57.090244 110741.000000 8 57.700001 1350.500000 1 58.099998 1350.500000 1 58.599998 1350.500000 1 58.975000 5402.000000 1 59.200001 5402.000000 1 63.000000 4051.500000 1 63.200001 1350.500000 1 63.599998 1350.500000 1 63.900002 4051.500000 1 65.098649 199874.000000 15 67.108951 4466103.500000 336 69.137369 1293779.000000 97 71.058139 116143.000000 9 71.800003 1350.500000 1 72.199997 1350.500000 1 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