MassBank Record: FFF00260



 Androstenedione; 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: FFF00260
RECORD_TITLE: Androstenedione; LC-APPI-QQ; MS2; CE:40 V; [M+H]+
DATE: 2016.01.19 (2011.04.05, 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$NAME: Androstenedione CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H26O2 CH$EXACT_MASS: 286.19328 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/C19H26O2/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/h11,14-16H,3-10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1 CH$LINK: CAS 63-05-8 CH$LINK: LIPIDBANK SST0028 CH$LINK: INCHIKEY AEMFNILZOJDQLW-WFZCBACDSA-N CH$LINK: COMPTOX DTXSID40424100
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 97.099998 MS$FOCUSED_ION: PRECURSOR_M/Z 287.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+
PK$SPLASH: splash10-052b-9810000000-f1b2ef00f59a830b6a00 PK$NUM_PEAK: 241 PK$PEAK: m/z int. rel.int. 39.099998 1350.500000 1 39.299999 1350.500000 1 41.033333 32412.000000 1 43.153061 132349.000000 2 43.700001 1350.500000 1 44.200001 2701.000000 1 44.500000 1350.500000 1 44.700001 2701.000000 1 45.150000 5402.000000 1 45.400002 4051.500000 1 50.800001 4051.500000 1 51.099998 1350.500000 1 51.299999 4051.500000 1 51.900002 1350.500000 1 52.799999 4051.500000 1 53.099998 12154.500000 1 54.000000 2701.000000 1 55.052101 321419.000000 5 56.000000 2701.000000 1 56.299999 2701.000000 1 56.994445 24309.000000 1 57.280952 28360.500000 1 58.500000 2701.000000 1 58.900002 5402.000000 1 59.400002 2701.000000 1 60.700001 1350.500000 1 64.400002 4051.500000 1 64.918183 14855.500000 1 65.239999 13505.000000 1 65.599998 4051.500000 1 65.900002 4051.500000 1 67.091847 496984.000000 7 69.108104 833258.500000 13 71.004762 113442.000000 2 71.800003 1350.500000 1 72.000000 1350.500000 1 73.099998 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