MassBank Record: FFF00109



 Testosterone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00109
RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:10 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$FOCUSED_ION: BASE_PEAK 289.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 289.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-000i-0090000000-68578e918a91056299e3 PK$NUM_PEAK: 233 PK$PEAK: m/z int. rel.int. 67.049999 2701.000000 1 71.800003 1350.500000 1 72.599998 1350.500000 1 73.049999 5402.000000 1 73.500000 1350.500000 1 76.900002 1350.500000 1 78.400002 1350.500000 1 79.000000 1350.500000 1 80.699997 1350.500000 1 80.900002 1350.500000 1 81.250000 5402.000000 1 81.950001 2701.000000 1 82.300003 1350.500000 1 82.500000 4051.500000 1 82.800003 5402.000000 1 83.000000 13505.000000 1 85.099998 1350.500000 1 89.000000 1350.500000 1 93.099998 2701.000000 1 94.800001 12154.500000 1 95.116665 8103.000000 1 95.936365 14855.500000 1 97.017220 854866.500000 3 105.800003 2701.000000 1 106.916668 8103.000000 1 107.699997 8103.000000 1 107.900002 4051.500000 1 109.067876 521293.000000 2 109.699997 1350.500000 1 110.500000 1350.500000 1 110.800003 2701.000000 1 111.199997 1350.500000 1 117.400002 1350.500000 1 118.400002 1350.500000 1 119.099998 4051.500000 1 120.945001 27010.000000 1 121.800001 4051.500000 1 122.099998 1350.500000 1 122.964705 68875.500000 1 123.699997 1350.500000 1 124.900002 1350.500000 1 125.400002 1350.500000 1 127.199997 1350.500000 1 128.600006 1350.500000 1 130.650002 2701.000000 1 131.133333 24309.000000 1 132.000000 1350.500000 1 132.500000 1350.500000 1 132.800003 4051.500000 1 133.000000 4051.500000 1 133.199997 4051.500000 1 133.550003 2701.000000 1 134.300003 2701.000000 1 135.038891 24309.000000 1 136.500000 1350.500000 1 137.100006 4051.500000 1 137.300003 4051.500000 1 138.500000 2701.000000 1 138.699997 1350.500000 1 139.000000 1350.500000 1 141.399994 1350.500000 1 142.775002 16206.000000 1 143.300003 6752.500000 1 144.300003 1350.500000 1 144.600006 6752.500000 1 144.899994 24309.000000 1 146.000000 1350.500000 1 146.699997 5402.000000 1 147.075003 21608.000000 1 147.500000 1350.500000 1 147.800003 1350.500000 1 148.500000 2701.000000 1 148.699997 5402.000000 1 149.123530 22958.500000 1 150.600006 1350.500000 1 150.899994 2701.000000 1 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218.199997 2701.000000 1 219.199997 17556.500000 1 224.100006 1350.500000 1 224.300003 1350.500000 1 225.219051 28360.500000 1 225.500000 10804.000000 1 225.899994 1350.500000 1 227.343332 40515.000000 1 227.899994 1350.500000 1 228.199997 2701.000000 1 229.192106 51319.000000 1 230.300003 4051.500000 1 231.000000 9453.500000 1 231.362497 10804.000000 1 231.800003 1350.500000 1 232.750000 2701.000000 1 233.100006 5402.000000 1 233.399994 1350.500000 1 237.199997 2701.000000 1 237.949997 2701.000000 1 238.199997 1350.500000 1 239.250000 2701.000000 1 239.500000 1350.500000 1 241.600006 1350.500000 1 242.300003 2701.000000 1 243.300002 37814.000000 1 244.100006 1350.500000 1 244.300003 2701.000000 1 244.699997 2701.000000 1 245.000000 12154.500000 1 245.339998 27010.000000 1 246.399994 1350.500000 1 246.699997 1350.500000 1 247.000000 2701.000000 1 247.500000 1350.500000 1 250.899994 1350.500000 1 251.300003 1350.500000 1 251.500000 1350.500000 1 251.699997 1350.500000 1 252.125004 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