MassBank Record: FFF00253



 Androsterone; LC-APPI-QQ; MS2; CE:40 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00253
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:40 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 0.820833 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: splash10-05o4-5900000000-c9729f9aa730f729c3a7 PK$NUM_PEAK: 205 PK$PEAK: m/z int. rel.int. 39.000000 4051.500000 1 39.500000 1350.500000 1 40.366667 8103.000000 1 41.020833 64824.000000 6 41.799999 2701.000000 1 42.099998 2701.000000 1 42.400002 6752.500000 1 43.061842 102638.000000 10 44.099998 1350.500000 1 44.900002 1350.500000 1 49.900002 2701.000000 1 50.299999 2701.000000 1 51.030000 13505.000000 1 51.549999 5402.000000 1 51.799999 1350.500000 1 52.200001 1350.500000 1 52.599998 2701.000000 1 53.150000 21608.000000 2 53.442858 18907.000000 2 55.089967 1211398.500000 118 56.049999 8103.000000 1 56.299999 5402.000000 1 56.958334 32412.000000 3 57.400002 20257.500000 2 57.900002 1350.500000 1 58.500000 1350.500000 1 59.000000 1350.500000 1 59.299999 5402.000000 1 62.099998 1350.500000 1 63.099998 1350.500000 1 63.599998 1350.500000 1 63.900002 2701.000000 1 64.973685 51319.000000 5 67.105175 4123076.500000 402 69.121566 1052039.500000 103 70.000000 1350.500000 1 70.500000 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