MassBank Record: FFF00254



 Androsterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00254
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:30 V; [M-2H2O+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$NAME: Androsterone CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H30O2 CH$EXACT_MASS: 290.22458 CH$SMILES: OC(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1 CH$IUPAC: InChI=1S/C19H30O2/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/h12-16,20H,3-11H2,1-2H3/t12-,13+,14?,15?,16?,18?,19?/m0/s1 CH$LINK: CAS 53-41-8 CH$LINK: LIPIDBANK SST0002 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-LISVHTKMSA-N
AC$INSTRUMENT: API2000 AC$INSTRUMENT_TYPE: LC-APPI-QQ AC$MASS_SPECTROMETRY: MS_TYPE MS2 AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.820867 min
MS$FOCUSED_ION: BASE_PEAK 161.100006 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4j-2920000000-61967253590be8adf8a7 PK$NUM_PEAK: 204 PK$PEAK: m/z int. rel.int. 40.900002 2701.000000 1 41.250000 5402.000000 1 42.799999 4051.500000 1 43.275000 10804.000000 1 51.000000 2701.000000 1 51.250000 2701.000000 1 52.250000 2701.000000 1 52.799999 2701.000000 1 53.099998 2701.000000 1 53.500000 2701.000000 1 53.900002 1350.500000 1 55.061165 139101.500000 15 56.400002 1350.500000 1 57.000000 12154.500000 1 57.253846 17556.500000 2 58.000000 1350.500000 1 58.400002 1350.500000 1 58.700001 1350.500000 1 62.799999 1350.500000 1 63.700001 1350.500000 1 64.000000 1350.500000 1 64.400002 1350.500000 1 65.000000 5402.000000 1 65.280000 13505.000000 1 66.199997 17556.500000 2 67.096021 746826.500000 82 69.059375 259296.000000 29 70.000000 1350.500000 1 70.599998 4051.500000 1 70.966667 8103.000000 1 71.400002 4051.500000 1 77.014285 75628.000000 8 77.800003 9453.500000 1 79.028448 939948.000000 103 81.100387 3491042.500000 384 83.114785 502386.000000 55 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