MassBank Record: FFF00248



 Androsterone; LC-APPI-QQ; MS2; CE:30 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00248
RECORD_TITLE: Androsterone; LC-APPI-QQ; MS2; CE:30 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$FOCUSED_ION: BASE_PEAK 147.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 273.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4j-1920000000-6a2c8d169ed7979dbff3 PK$NUM_PEAK: 219 PK$PEAK: m/z int. rel.int. 38.900002 1350.500000 1 39.099998 2701.000000 1 40.980000 13505.000000 1 41.400002 5402.000000 1 42.299999 2701.000000 1 43.035294 45917.000000 3 51.250000 2701.000000 1 52.750000 2701.000000 1 53.074999 5402.000000 1 53.400002 2701.000000 1 53.799999 1350.500000 1 54.049999 5402.000000 1 55.091666 129648.000000 8 55.599998 8103.000000 1 55.900002 1350.500000 1 56.400002 1350.500000 1 56.887501 10804.000000 1 57.299999 10804.000000 1 59.000000 1350.500000 1 59.200001 2701.000000 1 59.400002 1350.500000 1 60.700001 1350.500000 1 63.500000 1350.500000 1 63.850000 2701.000000 1 64.099998 1350.500000 1 64.350002 2701.000000 1 65.112499 21608.000000 1 65.500000 5402.000000 1 67.106872 569911.000000 33 69.132966 245791.000000 14 69.800003 4051.500000 1 71.111428 94535.000000 6 71.900002 4051.500000 1 72.750000 2701.000000 1 73.099998 1350.500000 1 73.350002 2701.000000 1 74.599998 1350.500000 1 75.000000 1350.500000 1 75.599998 5402.000000 1 76.000000 1350.500000 1 76.994854 183668.000000 11 79.041923 1404520.000000 82 81.101042 3369497.500000 196 83.084806 764383.000000 45 84.000000 2701.000000 1 84.300003 1350.500000 1 84.907144 18907.000000 1 88.099998 2701.000000 1 89.149998 8103.000000 1 89.400002 1350.500000 1 91.040351 1385613.000000 81 93.120210 2953543.500000 172 95.062993 2328262.000000 136 97.087984 348429.000000 20 98.199997 2701.000000 1 98.988890 36463.500000 2 101.049999 5402.000000 1 101.900002 1350.500000 1 102.099998 1350.500000 1 102.300003 1350.500000 1 102.853335 20257.500000 1 103.370002 13505.000000 1 105.037482 3646350.000000 212 107.050022 6155579.000000 358 109.112316 1557126.500000 91 110.000000 5402.000000 1 111.137929 78329.000000 5 112.000000 1350.500000 1 112.599998 1350.500000 1 112.900002 5402.000000 1 113.149998 2701.000000 1 113.400002 2701.000000 1 114.500000 1350.500000 1 115.055556 24309.000000 1 115.787502 10804.000000 1 117.076087 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239.100001 12154.500000 1 240.259493 213379.000000 12 241.069234 17556.500000 1 241.600006 2701.000000 1 242.000000 2701.000000 1 242.399994 2701.000000 1 242.899994 5402.000000 1 243.166667 8103.000000 1 244.133336 8103.000000 1 244.399994 2701.000000 1 244.600006 8103.000000 1 245.116666 137751.000000 8 248.949997 2701.000000 1 249.899994 1350.500000 1 251.300003 1350.500000 1 251.500000 1350.500000 1 252.250000 5402.000000 1 252.899994 8103.000000 1 253.304651 58071.500000 3 255.315520 17159453.000000 999 257.150009 2701.000000 1 257.500000 1350.500000 1 258.220340 79679.500000 5 270.200012 1350.500000 1 270.899994 1350.500000 1 271.474998 5402.000000 1 271.824989 5402.000000 1 272.100006 8103.000000 1 273.320607 3289818.000000 192 278.700012 1350.500000 1 //

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