MassBank Record: FFF00110



 Testosterone; LC-APPI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00110
RECORD_TITLE: Testosterone; LC-APPI-QQ; MS
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 MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min
MS$FOCUSED_ION: BASE_PEAK 289.200012 MS$FOCUSED_ION: ION_TYPE [M+H]+
PK$SPLASH: splash10-000i-0090000000-da83e523bbe84ac01f06 PK$NUM_PEAK: 184 PK$PEAK: m/z int. rel.int. 201.138375 6021506.500000 6 202.103308 2177225.500000 2 203.115643 5083694.000000 5 205.118202 6792763.500000 7 206.088863 1266422.000000 1 207.137952 6812270.000000 7 209.168884 9876291.000000 10 211.161747 12434643.500000 13 213.139986 8953483.500000 9 214.194487 2013671.000000 2 215.162722 7849115.500000 8 216.157300 1644548.000000 2 217.171529 4042347.000000 4 219.124231 6638212.000000 7 221.127324 15639711.500000 16 222.131840 3850283.000000 4 223.139489 14275757.000000 14 225.205597 42726737.500000 43 227.203863 44116200.500000 45 228.202064 8287261.500000 8 229.185387 30826272.000000 31 231.191986 20259751.000000 20 233.151546 8927975.000000 9 235.125855 14032676.000000 14 237.176016 12331109.000000 12 238.129794 3646215.000000 4 239.183806 14232242.500000 14 241.254683 12559185.000000 13 243.220772 14143713.000000 14 245.188838 19438977.500000 20 247.166176 18783259.000000 19 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