MassBank Record: FFF00104



 Testosterone; LC-APPI-QQ; MS2; CE:60 V; [M+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00104
RECORD_TITLE: Testosterone; LC-APPI-QQ; MS2; CE:60 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 0.820900 min
MS$FOCUSED_ION: BASE_PEAK 97.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 289.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-054k-9300000000-037614e59c113ab5cb0d PK$NUM_PEAK: 284 PK$PEAK: m/z int. rel.int. 30.799999 1350.500000 1 31.100000 2701.000000 1 31.550000 2701.000000 1 37.700001 1350.500000 1 38.400002 2701.000000 1 39.063636 29711.000000 1 41.081565 1553075.000000 24 43.085180 2168903.000000 34 44.250000 5402.000000 1 44.700001 6752.500000 1 44.900002 9453.500000 1 45.500000 4051.500000 1 45.799999 1350.500000 1 46.000000 1350.500000 1 49.450001 2701.000000 1 49.900002 2701.000000 1 50.300000 6752.500000 1 50.799999 6752.500000 1 51.266667 24309.000000 1 51.599998 1350.500000 1 51.799999 2701.000000 1 53.074503 815702.000000 13 55.057677 4767265.000000 75 57.050670 605024.000000 10 58.000000 1350.500000 1 58.200001 4051.500000 1 58.599998 1350.500000 1 58.799999 9453.500000 1 59.159999 6752.500000 1 59.500000 1350.500000 1 59.900002 1350.500000 1 60.700001 1350.500000 1 61.799999 1350.500000 1 62.000000 4051.500000 1 62.200001 1350.500000 1 62.800001 8103.000000 1 63.500000 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