MassBank Record: FFF00186



 Epiandrosterone; LC-APPI-QQ; MS2; CE:60 V; [M-2H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00186
RECORD_TITLE: Epiandrosterone; LC-APPI-QQ; MS2; CE:60 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$NAME: Epiandrosterone CH$NAME: 3-beta-Hydroxy-5alpha-androstan-17-one 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 481-29-8 CH$LINK: LIPIDBANK SST0205 CH$LINK: INCHIKEY QGXBDMJGAMFCBF-CYFBJHQBSA-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 79.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 255.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-056u-9600000000-f62656a3ab541e6eaf96 PK$NUM_PEAK: 218 PK$PEAK: m/z int. rel.int. 37.700001 1350.500000 1 38.299999 4051.500000 1 39.057894 51319.000000 2 41.086666 1600342.500000 60 43.099017 549653.500000 21 44.000000 1350.500000 1 45.099998 1350.500000 1 51.176595 63473.500000 2 53.114200 675250.000000 25 55.093646 7056362.500000 264 56.185714 18907.000000 1 57.106896 78329.000000 3 58.700001 1350.500000 1 59.200001 1350.500000 1 59.400002 1350.500000 1 61.049999 2701.000000 1 61.500000 2701.000000 1 61.799999 2701.000000 1 62.099998 1350.500000 1 62.500000 1350.500000 1 62.700001 6752.500000 1 62.900002 10804.000000 1 63.400002 12154.500000 1 65.094376 1969029.000000 74 67.112309 13012067.500000 486 69.100601 1349149.500000 50 70.300003 2701.000000 1 71.300003 1350.500000 1 71.800003 1350.500000 1 72.199997 1350.500000 1 72.800003 1350.500000 1 73.099998 4051.500000 1 73.300003 1350.500000 1 73.900002 4051.500000 1 74.199997 5402.000000 1 77.063768 11741247.000000 439 79.056107 18817867.000000 703 81.125526 12644731.500000 472 83.079643 378140.000000 14 84.500000 1350.500000 1 86.099998 1350.500000 1 86.800003 1350.500000 1 87.199997 2701.000000 1 87.699997 2701.000000 1 87.900002 1350.500000 1 91.064914 26735848.500000 999 93.121306 6744397.000000 252 95.060033 3297921.000000 123 96.199997 4051.500000 1 96.599998 1350.500000 1 96.900002 4051.500000 1 97.099998 2701.000000 1 99.500000 5402.000000 1 99.699997 2701.000000 1 99.900002 1350.500000 1 100.099998 4051.500000 1 100.500000 2701.000000 1 103.082335 2278293.500000 85 105.055223 17106783.500000 639 107.064140 1461241.000000 55 109.104878 221482.000000 8 110.500000 1350.500000 1 111.000000 2701.000000 1 111.800003 1350.500000 1 112.199997 4051.500000 1 112.500000 2701.000000 1 112.775002 5402.000000 1 113.025000 10804.000000 1 113.659373 43216.000000 2 115.081502 4424238.000000 165 117.100000 4595751.500000 172 119.080898 3789503.000000 142 120.400002 25659.500000 1 121.098572 189070.000000 7 122.500000 4051.500000 1 123.039999 13505.000000 1 123.325003 5402.000000 1 123.599998 2701.000000 1 124.500000 1350.500000 1 124.699997 2701.000000 1 124.900002 4051.500000 1 126.061363 59422.000000 2 128.099700 5380392.000000 201 129.101364 6139373.000000 229 130.121372 2401189.000000 90 131.142573 3590979.500000 134 132.246268 180967.000000 7 133.139862 586117.000000 22 134.139999 13505.000000 1 134.399994 10804.000000 1 135.147062 45917.000000 2 137.000000 1350.500000 1 137.399994 1350.500000 1 138.150002 2701.000000 1 139.076469 68875.500000 3 141.155190 2549744.000000 95 142.093462 2106780.000000 79 143.101057 3066985.500000 115 145.109835 2718556.500000 102 147.125568 237688.000000 9 147.899994 2701.000000 1 148.199997 4051.500000 1 148.899994 4051.500000 1 149.150002 8103.000000 1 149.500000 4051.500000 1 150.449997 2701.000000 1 150.699997 1350.500000 1 151.339999 13505.000000 1 151.994447 48618.000000 2 153.114886 417304.500000 16 155.116666 1393716.000000 52 156.135048 709012.500000 26 157.144074 1458540.000000 54 158.186861 185018.500000 7 159.135714 529396.000000 20 159.860001 13505.000000 1 160.274998 10804.000000 1 161.131081 99937.000000 4 162.199997 1350.500000 1 162.500000 1350.500000 1 163.150002 2701.000000 1 163.600006 2701.000000 1 164.100006 2701.000000 1 164.300003 1350.500000 1 165.148485 44566.500000 2 166.036586 55370.500000 2 167.173530 275502.000000 10 169.075155 869722.000000 32 171.160859 596921.000000 22 172.217648 45917.000000 2 173.192158 137751.000000 5 175.000000 9453.500000 1 176.100001 4051.500000 1 176.800003 1350.500000 1 177.300003 1350.500000 1 177.600006 1350.500000 1 177.899994 5402.000000 1 178.800003 4051.500000 1 179.100006 8103.000000 1 179.300003 8103.000000 1 179.899994 2701.000000 1 180.150002 5402.000000 1 180.399994 1350.500000 1 181.135616 98586.500000 4 183.200000 370037.000000 14 184.152438 110741.000000 4 185.190332 447015.500000 17 186.157142 18907.000000 1 187.100006 14855.500000 1 187.300003 9453.500000 1 188.600006 1350.500000 1 189.000000 1350.500000 1 190.899994 1350.500000 1 191.250000 2701.000000 1 191.500000 1350.500000 1 192.399994 1350.500000 1 192.600006 2701.000000 1 192.800003 1350.500000 1 193.399994 2701.000000 1 193.699997 1350.500000 1 194.049995 5402.000000 1 194.449997 5402.000000 1 194.750000 5402.000000 1 195.238095 28360.500000 1 195.750000 10804.000000 1 196.140002 13505.000000 1 197.272000 135050.000000 5 198.118182 29711.000000 1 199.166929 171513.500000 6 200.118182 14855.500000 1 201.100006 1350.500000 1 201.500000 2701.000000 1 202.000000 1350.500000 1 203.449997 2701.000000 1 206.300003 1350.500000 1 207.250000 5402.000000 1 207.899994 1350.500000 1 208.250000 2701.000000 1 208.500000 1350.500000 1 209.100006 4051.500000 1 209.500000 5402.000000 1 209.699997 1350.500000 1 209.899994 4051.500000 1 210.399998 10804.000000 1 211.179310 117493.500000 4 212.000000 4051.500000 1 212.199997 5402.000000 1 212.800003 4051.500000 1 213.200002 16206.000000 1 214.000000 2701.000000 1 214.199997 1350.500000 1 214.600006 2701.000000 1 221.300003 1350.500000 1 222.199997 2701.000000 1 222.600006 1350.500000 1 223.000000 4051.500000 1 223.300003 2701.000000 1 224.189998 13505.000000 1 225.267212 164761.000000 6 226.161904 113442.000000 4 226.899997 6752.500000 1 227.199997 5402.000000 1 227.550003 5402.000000 1 227.800003 1350.500000 1 228.899994 1350.500000 1 237.600006 1350.500000 1 238.399999 4051.500000 1 239.224998 5402.000000 1 239.699997 1350.500000 1 239.899994 2701.000000 1 241.699997 2701.000000 1 242.000000 1350.500000 1 251.699997 1350.500000 1 253.000000 2701.000000 1 253.300003 1350.500000 1 254.199997 1350.500000 1 255.100006 2701.000000 1 255.450001 5402.000000 1 //

MassBank | Copyright Line
Copyright © since 2006 MassBank Project
Copyright © since 2011 NORMAN Association
Copyright © since 2017 MassBank Consortium
Responsible: Dr. Tobias Schulze (tobias.schulze@ufz.de)