MassBank Record: FFF00247



 Androsterone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00247
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:40 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 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 147.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4m-3900000000-a96b3d3879a0e0706a6b PK$NUM_PEAK: 230 PK$PEAK: m/z int. rel.int. 38.200001 1350.500000 1 39.099998 2701.000000 1 39.400002 2701.000000 1 39.599998 1350.500000 1 40.433334 8103.000000 1 41.285714 18907.000000 2 43.065079 170163.000000 15 43.799999 1350.500000 1 45.074999 5402.000000 1 45.450001 2701.000000 1 50.400002 1350.500000 1 51.083332 8103.000000 1 51.400002 5402.000000 1 51.900002 1350.500000 1 52.299999 1350.500000 1 52.966667 8103.000000 1 53.245455 14855.500000 1 55.087773 927793.500000 84 57.055262 51319.000000 5 57.799999 1350.500000 1 58.200001 1350.500000 1 58.500000 1350.500000 1 58.799999 2701.000000 1 61.299999 1350.500000 1 63.599998 1350.500000 1 64.250000 2701.000000 1 64.583332 8103.000000 1 65.129165 32412.000000 3 67.120408 2249933.000000 203 69.121024 764383.000000 69 70.000000 4051.500000 1 71.300003 33762.500000 3 73.000000 2701.000000 1 73.199997 1350.500000 1 75.000000 1350.500000 1 75.500000 4051.500000 1 77.057017 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