MassBank Record: FFF00251



 Androsterone; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00251
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:60 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 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 91.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-004l-9600000000-f0277447adca28744d53 PK$NUM_PEAK: 230 PK$PEAK: m/z int. rel.int. 39.000000 1350.500000 1 39.850000 2701.000000 3 40.250000 2701.000000 3 40.878572 18907.000000 19 41.154166 32412.000000 33 41.900002 1350.500000 1 42.099998 1350.500000 1 42.299999 1350.500000 1 42.675000 5402.000000 5 43.000000 10804.000000 11 43.299999 8103.000000 8 50.099998 1350.500000 1 50.400002 1350.500000 1 50.799999 4051.500000 4 52.099998 2701.000000 3 52.799999 12154.500000 12 53.127272 29711.000000 30 54.099998 2701.000000 3 55.101242 217430.500000 221 56.200001 1350.500000 1 56.400002 1350.500000 1 56.700001 2701.000000 3 57.099998 2701.000000 3 57.350000 2701.000000 3 59.299999 1350.500000 1 61.099998 1350.500000 1 61.299999 2701.000000 3 62.799999 1350.500000 1 63.099998 2701.000000 3 63.799999 2701.000000 3 64.099998 1350.500000 1 65.058000 67525.000000 69 65.699997 2701.000000 3 66.000000 4051.500000 4 66.500000 17556.500000 18 67.120217 374088.500000 380 68.199997 2701.000000 3 68.500000 4051.500000 4 68.800003 13505.000000 14 69.173334 40515.000000 41 73.400002 1350.500000 1 74.599998 1350.500000 1 75.049999 2701.000000 3 75.400002 1350.500000 1 75.740001 6752.500000 7 77.030986 383542.000000 389 79.074588 818403.000000 830 80.099998 12154.500000 12 81.104978 325470.500000 330 81.950001 2701.000000 3 82.300003 1350.500000 1 82.900002 12154.500000 12 83.800003 1350.500000 1 88.400002 2701.000000 3 89.099998 4051.500000 4 89.599998 5402.000000 5 91.051715 984514.500000 999 91.833336 16206.000000 16 93.123602 217430.500000 221 94.237499 10804.000000 11 95.318185 29711.000000 30 95.699997 2701.000000 3 97.000000 1350.500000 1 97.400002 1350.500000 1 101.199999 4051.500000 4 101.500000 2701.000000 3 101.699997 1350.500000 1 102.425001 10804.000000 11 103.065218 62123.000000 63 105.036928 501035.500000 508 105.900002 4051.500000 4 106.599998 6752.500000 7 106.953334 40515.000000 41 107.500000 1350.500000 1 108.199997 1350.500000 1 108.500000 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