MassBank Record: FFF00252



 Androsterone; LC-APPI-QQ; MS2; CE:50 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00252
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:50 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$FOCUSED_ION: BASE_PEAK 90.800003 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-05ox-9800000000-ca59cd78d0912b496cec PK$NUM_PEAK: 219 PK$PEAK: m/z int. rel.int. 38.925000 10804.000000 1 39.299999 8103.000000 1 39.799999 4051.500000 1 41.108333 421356.000000 28 41.833333 8103.000000 1 42.099998 4051.500000 1 43.120488 276852.500000 18 43.900002 1350.500000 1 44.099998 1350.500000 1 49.799999 1350.500000 1 50.000000 1350.500000 1 50.200001 1350.500000 1 50.500000 2701.000000 1 51.212500 21608.000000 1 51.599998 4051.500000 1 51.900002 2701.000000 1 53.105785 163410.500000 11 53.895835 32412.000000 2 55.078897 3135861.000000 207 56.025000 10804.000000 1 57.099998 32412.000000 2 58.099998 1350.500000 1 58.599998 1350.500000 1 58.799999 1350.500000 1 59.049999 2701.000000 1 59.299999 1350.500000 1 60.400002 1350.500000 1 61.599998 1350.500000 1 62.000000 1350.500000 1 62.599998 2701.000000 1 62.900002 1350.500000 1 63.299999 4051.500000 1 63.700001 4051.500000 1 64.000000 4051.500000 1 65.049164 403799.500000 27 67.109371 7753220.500000 511 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