MassBank Record: FFF00256



 Androsterone; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00256
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:10 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$FOCUSED_ION: BASE_PEAK 255.300003 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4i-0090000000-10504c7c681340df2ed0 PK$NUM_PEAK: 178 PK$PEAK: m/z int. rel.int. 55.250000 2701.000000 1 66.800003 1350.500000 1 67.199999 4051.500000 1 67.599998 2701.000000 1 69.049999 5402.000000 1 69.300003 2701.000000 1 69.699997 1350.500000 1 75.900002 1350.500000 1 76.400002 1350.500000 1 77.099998 4051.500000 1 78.500000 1350.500000 1 79.199997 4051.500000 1 79.800003 2701.000000 1 81.104968 217430.500000 1 83.112498 10804.000000 1 83.450001 5402.000000 1 89.599998 1350.500000 1 89.800003 1350.500000 1 90.537499 10804.000000 1 91.065000 54020.000000 1 91.599998 1350.500000 1 92.000000 1350.500000 1 92.500000 2701.000000 1 93.129167 32412.000000 1 95.194935 106689.500000 1 96.049999 2701.000000 1 96.400002 1350.500000 1 97.040000 27010.000000 1 102.500000 2701.000000 1 102.800003 1350.500000 1 105.046667 405150.000000 2 106.000000 1350.500000 1 107.060811 199874.000000 1 108.000000 2701.000000 1 108.325003 5402.000000 1 109.035789 128297.500000 1 109.800003 1350.500000 1 110.099998 1350.500000 1 110.599998 4051.500000 1 111.099998 18907.000000 1 111.475000 5402.000000 1 115.049999 2701.000000 1 115.800003 1350.500000 1 117.095294 114792.500000 1 117.800003 2701.000000 1 118.049999 8103.000000 1 119.059615 140452.000000 1 119.850002 2701.000000 1 120.199997 1350.500000 1 121.067441 116143.000000 1 122.000000 1350.500000 1 122.199997 1350.500000 1 123.096722 82380.500000 1 124.699997 4051.500000 1 125.099998 2701.000000 1 125.300003 5402.000000 1 127.300003 1350.500000 1 127.800003 1350.500000 1 128.199997 1350.500000 1 128.399994 1350.500000 1 128.600006 1350.500000 1 129.000000 9453.500000 1 129.300003 4051.500000 1 129.500000 5402.000000 1 129.939999 6752.500000 1 131.156250 151256.000000 1 132.000000 4051.500000 1 132.300003 5402.000000 1 133.101821 148555.000000 1 134.100006 1350.500000 1 134.300003 1350.500000 1 135.133334 145854.000000 1 136.150002 5402.000000 1 137.145001 108040.000000 1 139.199997 1350.500000 1 141.399994 1350.500000 1 141.800003 2701.000000 1 142.100006 5402.000000 1 142.349998 2701.000000 1 142.953843 35113.000000 1 143.300003 12154.500000 1 144.199997 12154.500000 1 145.095361 989916.500000 6 147.135863 783290.000000 4 149.172000 270100.000000 2 150.000000 4051.500000 1 151.168151 394346.000000 2 153.199997 1350.500000 1 155.000000 1350.500000 1 155.899994 1350.500000 1 156.399994 1350.500000 1 157.107142 37814.000000 1 158.100006 9453.500000 1 159.115242 948051.000000 5 159.899994 9453.500000 1 161.135205 1250563.000000 7 163.155075 186369.000000 1 165.150002 2701.000000 1 165.800003 1350.500000 1 166.699997 1350.500000 1 168.650002 2701.000000 1 169.100006 1350.500000 1 170.000000 4051.500000 1 171.078790 178266.000000 1 173.175249 949401.500000 5 175.190076 353831.000000 2 176.000000 1350.500000 1 177.179999 175565.000000 1 180.800003 1350.500000 1 181.100006 2701.000000 1 182.800003 2701.000000 1 183.100006 2701.000000 1 183.300003 2701.000000 1 183.899994 1350.500000 1 184.100006 2701.000000 1 184.300003 9453.500000 1 185.183613 642838.000000 4 185.924995 5402.000000 1 187.234120 229585.000000 1 187.800003 1350.500000 1 188.050003 5402.000000 1 189.201129 717115.500000 4 192.800003 1350.500000 1 195.199997 1350.500000 1 195.449997 2701.000000 1 195.699997 1350.500000 1 197.000000 6752.500000 1 197.216665 8103.000000 1 197.600006 1350.500000 1 197.974998 5402.000000 1 199.179571 1890700.000000 11 199.899994 5402.000000 1 201.197201 1640857.500000 9 203.000000 1350.500000 1 208.600006 1350.500000 1 208.800003 1350.500000 1 209.100006 1350.500000 1 209.699997 1350.500000 1 210.600006 2701.000000 1 211.100006 4051.500000 1 211.424995 5402.000000 1 212.399994 1350.500000 1 213.253449 469974.000000 3 214.166667 8103.000000 1 214.500000 2701.000000 1 219.100006 1350.500000 1 219.600006 1350.500000 1 223.359998 13505.000000 1 223.699997 1350.500000 1 224.800003 5402.000000 1 225.316668 8103.000000 1 227.250350 386243.000000 2 228.100006 1350.500000 1 235.199997 1350.500000 1 236.800003 5402.000000 1 237.000000 5402.000000 1 237.325001 5402.000000 1 239.100006 2701.000000 1 239.699997 1350.500000 1 240.186668 20257.500000 1 245.500000 1350.500000 1 245.899994 1350.500000 1 247.199997 1350.500000 1 248.299998 4051.500000 1 249.000000 4051.500000 1 249.300003 1350.500000 1 249.849998 8103.000000 1 250.199997 4051.500000 1 250.650002 2701.000000 1 251.000000 2701.000000 1 251.399994 2701.000000 1 251.750000 5402.000000 1 252.349998 16206.000000 1 255.304445 177740655.500000 999 256.534617 35113.000000 1 257.899994 1350.500000 1 279.600006 1350.500000 1 285.299988 1350.500000 1 //