MassBank Record: FFF00105



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

ACCESSION: FFF00105
RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (2011.03.01, 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$NAME: Testosterone CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H28O2 CH$EXACT_MASS: 288.20893 CH$SMILES: O=C(C4)C=C(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(O)C1 CH$IUPAC: InChI=1S/C19H28O2/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/h11,14-17,21H,3-10H2,1-2H3/t14?,15?,16?,17-,18?,19?/m0/s1 CH$LINK: CAS 58-22-0 CH$LINK: LIPIDBANK SST0020 CH$LINK: INCHIKEY MUMGGOZAMZWBJJ-YDJBNQETSA-N
AC$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$FOCUSED_ION: BASE_PEAK 96.900002 MS$FOCUSED_ION: PRECURSOR_M/Z 289.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-9700000000-0d20814de99f86a180ae PK$NUM_PEAK: 278 PK$PEAK: m/z int. rel.int. 31.000000 1350.500000 1 31.299999 1350.500000 1 38.500000 2701.000000 1 38.970000 13505.000000 1 39.225000 5402.000000 1 40.016666 8103.000000 1 41.061088 322769.500000 4 41.750000 2701.000000 1 43.042014 777888.000000 9 44.599998 2701.000000 1 45.000000 6752.500000 1 49.799999 1350.500000 1 50.200001 2701.000000 1 50.400002 1350.500000 1 50.799999 8103.000000 1 51.000000 9453.500000 1 51.333334 16206.000000 1 51.799999 2701.000000 1 52.099998 5402.000000 1 52.299999 4051.500000 1 53.012088 122895.500000 1 53.900002 20257.500000 1 55.047051 1969029.000000 22 57.082313 397047.000000 4 57.900002 1350.500000 1 58.450001 2701.000000 1 58.942857 9453.500000 1 60.400002 1350.500000 1 60.799999 1350.500000 1 62.099998 2701.000000 1 63.099998 1350.500000 1 64.000000 4051.500000 1 65.044319 237688.000000 3 67.081504 3592330.000000 40 69.082655 3519403.000000 39 70.450001 21608.000000 1 71.091667 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