MassBank Record: FFF00106



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

ACCESSION: FFF00106
RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:40 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$FOCUSED_ION: BASE_PEAK 97.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 289.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-8900000000-a8c3492c5b69aab7adf6 PK$NUM_PEAK: 239 PK$PEAK: m/z int. rel.int. 38.799999 4051.500000 1 39.100000 8103.000000 1 40.980000 20257.500000 1 41.218750 21608.000000 1 41.850000 2701.000000 1 42.099998 4051.500000 1 43.013462 140452.000000 1 44.900002 2701.000000 1 45.200001 2701.000000 1 50.400002 1350.500000 1 51.099998 9453.500000 1 51.400002 1350.500000 1 51.700001 1350.500000 1 52.700001 9453.500000 1 53.166667 24309.000000 1 55.060307 615828.000000 6 55.900002 1350.500000 1 57.043889 243090.000000 2 57.799999 1350.500000 1 58.000000 1350.500000 1 58.450001 2701.000000 1 58.900002 4051.500000 1 59.099998 2701.000000 1 59.400002 1350.500000 1 62.450001 2701.000000 1 63.299999 1350.500000 1 63.799999 1350.500000 1 64.000000 2701.000000 1 64.500000 6752.500000 1 65.065000 54020.000000 1 65.699997 6752.500000 1 67.098552 1119564.500000 11 69.098564 1504457.000000 15 70.000000 2701.000000 1 71.057547 143153.000000 1 71.750000 2701.000000 1 72.099998 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