MassBank Record: FFF00107



 Testosterone; LC-APPI-QQ; MS2; CE:30 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00107
RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:30 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$FOCUSED_ION: BASE_PEAK 109.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 289.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-7940000000-f212dbff40c35127b6a0 PK$NUM_PEAK: 250 PK$PEAK: m/z int. rel.int. 31.799999 1350.500000 1 38.200001 1350.500000 1 38.900000 10804.000000 1 40.099998 1350.500000 1 40.299999 1350.500000 1 40.799999 6752.500000 1 41.266666 8103.000000 1 42.299999 1350.500000 1 43.275000 16206.000000 1 43.599998 1350.500000 1 45.099998 1350.500000 1 50.900002 1350.500000 1 52.299999 1350.500000 1 52.799999 2701.000000 1 53.000000 4051.500000 1 53.200001 1350.500000 1 53.599998 2701.000000 1 54.250000 2701.000000 1 54.500000 8103.000000 1 55.068181 59422.000000 1 55.599998 1350.500000 1 55.900002 1350.500000 1 56.200001 2701.000000 1 57.232433 49968.500000 1 57.950001 2701.000000 1 59.099998 1350.500000 1 59.299999 2701.000000 1 62.299999 1350.500000 1 64.737499 10804.000000 1 65.241667 16206.000000 1 66.000000 8103.000000 1 66.400002 13505.000000 1 67.123913 248492.000000 3 69.052809 240389.000000 2 70.000000 2701.000000 1 70.833336 24309.000000 1 72.880000 13505.000000 1 73.233332 8103.000000 1 74.300003 2701.000000 1 75.199997 2701.000000 1 75.500000 1350.500000 1 75.750000 2701.000000 1 76.000000 1350.500000 1 76.950633 106689.500000 1 77.699997 8103.000000 1 79.031265 1131719.000000 12 81.089215 2529486.500000 26 83.052307 4507969.000000 46 85.129921 171513.500000 2 86.300003 1350.500000 1 86.800003 2701.000000 1 89.450001 5402.000000 1 89.800003 4051.500000 1 90.030000 13505.000000 1 91.040139 582065.500000 6 93.090761 2484920.000000 25 95.076740 4075809.000000 42 97.067633 97908549.000000 999 99.004167 64824.000000 1 99.699997 4051.500000 1 100.500000 1350.500000 1 101.000000 1350.500000 1 101.300001 4051.500000 1 101.800003 1350.500000 1 102.199997 4051.500000 1 102.400002 1350.500000 1 102.699997 8103.000000 1 103.000000 6752.500000 1 104.998413 1871793.000000 19 107.065848 3464032.500000 35 109.051162 84427858.000000 861 111.036302 394346.000000 4 113.146154 35113.000000 1 114.300003 1350.500000 1 114.850002 8103.000000 1 115.199997 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