MassBank Record: FFF00250



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

ACCESSION: FFF00250
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:10 V; [M-H2O+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$FOCUSED_ION: BASE_PEAK 273.299988 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-00di-0090000000-335d9d61614965b392dc PK$NUM_PEAK: 184 PK$PEAK: m/z int. rel.int. 67.400002 1350.500000 1 69.199997 1350.500000 1 78.699997 1350.500000 1 80.450001 2701.000000 1 80.699997 1350.500000 1 81.400002 2701.000000 1 82.649998 2701.000000 1 82.900002 1350.500000 1 85.500000 1350.500000 1 91.000000 1350.500000 1 93.149998 2701.000000 1 94.199997 1350.500000 1 94.900002 5402.000000 1 95.199997 1350.500000 1 96.900002 2701.000000 1 97.300003 2701.000000 1 104.500000 1350.500000 1 104.866666 8103.000000 1 106.400002 1350.500000 1 106.728571 9453.500000 1 107.033333 8103.000000 1 107.350002 8103.000000 1 108.599998 2701.000000 1 108.900002 2701.000000 1 109.300003 2701.000000 1 109.500000 1350.500000 1 110.699997 2701.000000 1 111.199997 1350.500000 1 118.000000 2701.000000 1 118.500000 1350.500000 1 119.199997 2701.000000 1 119.400002 1350.500000 1 121.199998 13505.000000 1 121.900002 1350.500000 1 123.000000 4051.500000 1 123.300003 2701.000000 1 124.900002 1350.500000 1 125.099998 2701.000000 1 128.399994 1350.500000 1 129.300003 1350.500000 1 130.949997 2701.000000 1 131.374996 5402.000000 1 132.500000 1350.500000 1 133.016668 8103.000000 1 133.333333 8103.000000 1 133.699997 1350.500000 1 134.100006 1350.500000 1 134.399994 2701.000000 1 135.080000 40515.000000 2 136.100006 1350.500000 1 136.300003 2701.000000 1 136.949997 5402.000000 1 137.316668 8103.000000 1 139.000000 2701.000000 1 139.250000 5402.000000 1 141.699997 1350.500000 1 142.899994 1350.500000 1 143.100006 4051.500000 1 143.600006 1350.500000 1 145.028888 121545.000000 5 146.100006 4051.500000 1 147.129517 224183.000000 9 147.800003 1350.500000 1 148.199997 1350.500000 1 149.185715 18907.000000 1 150.000000 2701.000000 1 150.500000 1350.500000 1 150.899994 5402.000000 1 151.100006 2701.000000 1 151.359998 13505.000000 1 152.699997 1350.500000 1 157.800003 1350.500000 1 159.124244 89133.000000 4 161.112149 289007.000000 12 162.899994 10804.000000 1 163.216665 16206.000000 1 164.800003 1350.500000 1 165.050003 5402.000000 1 165.399994 1350.500000 1 165.600006 1350.500000 1 167.199997 1350.500000 1 170.849998 5402.000000 1 171.224998 5402.000000 1 171.500000 1350.500000 1 172.199997 2701.000000 1 172.500000 5402.000000 1 172.966665 32412.000000 1 174.600006 1350.500000 1 175.168750 21608.000000 1 175.600006 2701.000000 1 176.199997 1350.500000 1 176.899994 5402.000000 1 177.228572 9453.500000 1 178.800003 2701.000000 1 179.550003 2701.000000 1 180.800003 1350.500000 1 181.033335 8103.000000 1 181.500000 1350.500000 1 182.100006 1350.500000 1 182.899994 1350.500000 1 183.250000 2701.000000 1 185.100006 27010.000000 1 186.800003 8103.000000 1 187.000000 5402.000000 1 187.199997 12154.500000 1 187.899994 1350.500000 1 188.600006 1350.500000 1 189.399994 4051.500000 1 190.100006 1350.500000 1 190.399994 2701.000000 1 191.154548 29711.000000 1 194.800003 2701.000000 1 195.199997 1350.500000 1 195.699997 1350.500000 1 197.150002 2701.000000 1 198.250000 2701.000000 1 199.185245 329522.000000 13 199.899994 1350.500000 1 200.300003 1350.500000 1 200.989999 13505.000000 1 201.209998 13505.000000 1 202.199997 1350.500000 1 202.600006 1350.500000 1 202.800003 2701.000000 1 203.125000 10804.000000 1 205.600006 1350.500000 1 208.800003 1350.500000 1 209.100006 1350.500000 1 209.399994 1350.500000 1 211.300003 1350.500000 1 211.899994 1350.500000 1 212.300003 2701.000000 1 212.500000 1350.500000 1 213.235716 75628.000000 3 214.300003 2701.000000 1 214.600006 1350.500000 1 215.225000 32412.000000 1 215.899994 1350.500000 1 216.150002 2701.000000 1 216.399994 4051.500000 1 217.272730 29711.000000 1 226.000000 1350.500000 1 227.200000 27010.000000 1 227.500000 10804.000000 1 227.800003 1350.500000 1 228.399994 2701.000000 1 228.899994 4051.500000 1 229.100006 6752.500000 1 229.500000 2701.000000 1 230.199997 1350.500000 1 230.500000 1350.500000 1 230.800003 1350.500000 1 231.300003 2701.000000 1 237.500000 2701.000000 1 240.300003 1350.500000 1 240.550003 2701.000000 1 241.132608 62123.000000 3 242.300003 1350.500000 1 243.399994 1350.500000 1 244.600006 1350.500000 1 245.100003 6752.500000 1 245.399994 1350.500000 1 248.500000 1350.500000 1 252.800003 2701.000000 1 253.199997 2701.000000 1 253.699997 5402.000000 1 253.899994 5402.000000 1 255.305993 5318269.000000 217 256.399994 2701.000000 1 256.600006 1350.500000 1 257.100006 2701.000000 1 257.700012 2701.000000 1 258.200002 4051.500000 1 259.000000 2701.000000 1 259.399994 1350.500000 1 265.500000 1350.500000 1 269.799988 1350.500000 1 270.100006 1350.500000 1 270.299988 1350.500000 1 270.500000 2701.000000 1 270.750000 5402.000000 1 271.239996 6752.500000 1 273.314401 24438648.000000 999 274.899994 1350.500000 1 //

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