MassBank Record: FFF00084



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

ACCESSION: FFF00084
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:60 V; [M-H2O+H]+
DATE: 2016.01.19 (2011.03.01, 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$NAME: Dehydroepiandrosterone CH$COMPOUND_CLASS: Natural Product; Steroid hormone CH$FORMULA: C19H28O2 CH$EXACT_MASS: 288.20893 CH$SMILES: OC(C4)CC(=C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(=O)C1 CH$IUPAC: InChI=1S/C19H28O2/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/h3,13-16,20H,4-11H2,1-2H3/t13-,14?,15?,16?,18?,19?/m0/s1 CH$LINK: CAS 53-43-0 CH$LINK: LIPIDBANK SST0185 CH$LINK: INCHIKEY FMGSKLZLMKYGDP-IHFGAHDLSA-N
AC$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$FOCUSED_ION: BASE_PEAK 91.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 271.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-056u-8900000000-bb9e79e7a9b5665fa6a6 PK$NUM_PEAK: 237 PK$PEAK: m/z int. rel.int. 38.700001 5402.000000 1 39.299999 10804.000000 1 39.871429 9453.500000 1 41.093774 694157.000000 51 43.088535 1060142.500000 77 44.857143 18907.000000 1 49.799999 1350.500000 1 50.400002 2701.000000 1 50.799999 8103.000000 1 51.099998 8103.000000 1 51.866667 8103.000000 1 53.070256 263347.500000 19 55.080031 3449177.000000 252 57.062963 109390.500000 8 57.599998 4051.500000 1 58.150000 2701.000000 1 58.500000 2701.000000 1 58.700001 2701.000000 1 58.950001 10804.000000 1 59.200001 4051.500000 1 62.299999 1350.500000 1 62.599998 1350.500000 1 62.900002 2701.000000 1 63.099998 2701.000000 1 63.730000 13505.000000 1 65.096892 521293.000000 38 67.107137 4730801.500000 346 69.100820 988566.000000 72 71.047009 316017.000000 23 72.400002 1350.500000 1 73.400002 2701.000000 1 73.599998 1350.500000 1 74.025000 5402.000000 1 74.400002 4051.500000 1 75.099998 6752.500000 1 77.066523 4066355.500000 297 79.043393 8789054.000000 642 81.095399 6984786.000000 510 83.075172 391645.000000 29 84.300003 1350.500000 1 85.316669 8103.000000 1 85.599998 2701.000000 1 86.599998 2701.000000 1 87.300003 1350.500000 1 87.549999 2701.000000 1 87.900002 1350.500000 1 88.099998 4051.500000 1 88.725001 21608.000000 2 91.056511 13669761.000000 999 93.107356 4259477.000000 311 95.027299 1909607.000000 140 97.097434 1684073.500000 123 98.500000 1350.500000 1 99.300003 2701.000000 1 99.599998 2701.000000 1 100.099998 1350.500000 1 100.599998 2701.000000 1 100.800003 1350.500000 1 101.000000 1350.500000 1 101.599998 12154.500000 1 103.077593 976411.500000 71 105.030567 9048350.000000 661 107.048578 1139822.000000 83 109.081674 338975.500000 25 110.033333 8103.000000 1 110.450001 5402.000000 1 110.800003 2701.000000 1 111.187500 21608.000000 2 115.086207 2310705.500000 169 117.071283 2661835.500000 195 119.061695 2517332.000000 184 120.178571 37814.000000 3 121.082301 152606.500000 11 122.000000 2701.000000 1 122.895456 29711.000000 2 124.199997 1350.500000 1 124.400002 2701.000000 1 124.599998 1350.500000 1 124.800003 1350.500000 1 125.099998 6752.500000 1 128.086725 4740255.000000 346 129.080148 4204106.500000 307 130.099486 1577384.000000 115 131.132274 2167552.500000 158 133.139494 694157.000000 51 134.211109 24309.000000 2 135.213332 81030.000000 6 135.849998 2701.000000 1 136.100006 2701.000000 1 136.300003 1350.500000 1 136.674999 5402.000000 1 137.250000 8103.000000 1 138.100006 1350.500000 1 138.449997 5402.000000 1 141.116333 3175025.500000 232 142.098138 2610516.500000 191 143.098218 2272891.500000 166 144.131905 630683.500000 46 145.080000 1539570.000000 113 147.090697 348429.000000 25 147.800003 5402.000000 1 148.000000 6752.500000 1 148.599998 10804.000000 1 149.000000 10804.000000 1 149.288886 24309.000000 2 149.600006 6752.500000 1 150.500001 16206.000000 1 151.166672 24309.000000 2 152.126389 291708.000000 21 153.096583 1185739.000000 87 155.075963 2348519.500000 172 157.144597 1374809.000000 100 157.984616 70226.000000 5 159.102528 480778.000000 35 159.963634 29711.000000 2 160.245454 29711.000000 2 161.082499 108040.000000 8 161.899994 1350.500000 1 162.100006 4051.500000 1 162.399994 2701.000000 1 162.699997 2701.000000 1 163.528573 9453.500000 1 164.100006 12154.500000 1 164.300003 16206.000000 1 165.115344 510489.000000 37 167.091594 1702980.500000 124 169.095817 1355902.000000 99 171.045946 549653.500000 40 172.164865 99937.000000 7 173.143104 234987.000000 17 174.081818 59422.000000 4 174.600006 5402.000000 1 175.141665 32412.000000 2 175.699997 1350.500000 1 176.000000 1350.500000 1 176.399994 1350.500000 1 177.100006 2701.000000 1 177.399994 1350.500000 1 179.300003 58071.500000 4 181.117380 1103358.500000 81 182.221022 475376.000000 35 183.158427 600972.500000 44 185.133218 390294.500000 29 186.125004 16206.000000 1 187.130109 251193.000000 18 188.000000 17556.500000 1 188.800003 10804.000000 1 189.000000 8103.000000 1 189.300003 12154.500000 1 190.449997 2701.000000 1 191.000000 5402.000000 1 191.199997 4051.500000 1 191.399994 2701.000000 1 191.775002 5402.000000 1 192.100006 5402.000000 1 192.500000 5402.000000 1 193.359089 29711.000000 2 195.188618 332223.000000 24 196.217886 166111.500000 12 197.260389 415954.000000 30 198.133333 206626.500000 15 199.162653 224183.000000 16 200.453848 35113.000000 3 201.220001 40515.000000 3 201.500000 6752.500000 1 202.300003 4051.500000 1 202.550003 2701.000000 1 203.000000 2701.000000 1 203.199997 2701.000000 1 203.600001 4051.500000 1 204.199997 1350.500000 1 205.100006 1350.500000 1 205.399994 2701.000000 1 206.200005 5402.000000 1 206.600006 5402.000000 1 207.150002 13505.000000 1 208.046157 17556.500000 1 208.399994 16206.000000 1 208.997619 56721.000000 4 209.699997 8103.000000 1 209.899994 2701.000000 1 211.166233 103988.500000 8 212.100000 28360.500000 2 213.127834 261997.000000 19 214.100002 21608.000000 2 214.542860 18907.000000 1 214.862497 21608.000000 2 215.122731 29711.000000 2 220.300003 2701.000000 1 220.949997 5402.000000 1 221.199997 10804.000000 1 222.100006 2701.000000 1 222.359998 13505.000000 1 223.206173 218781.000000 16 224.000000 4051.500000 1 224.199997 1350.500000 1 225.133334 32412.000000 2 226.433329 16206.000000 1 227.193334 162060.000000 12 228.320001 13505.000000 1 228.600006 5402.000000 1 229.199997 2701.000000 1 235.100006 2701.000000 1 235.500000 1350.500000 1 235.800003 1350.500000 1 236.100006 2701.000000 1 236.600006 2701.000000 1 237.311111 24309.000000 2 237.799999 14855.500000 1 238.100006 10804.000000 1 238.369997 13505.000000 1 238.625004 5402.000000 1 239.157146 18907.000000 1 240.120001 13505.000000 1 241.331666 162060.000000 12 242.300003 2701.000000 1 242.500000 1350.500000 1 243.000000 1350.500000 1 243.399994 4051.500000 1 245.199997 1350.500000 1 251.300003 1350.500000 1 251.500000 1350.500000 1 252.100006 5402.000000 1 252.699997 2701.000000 1 253.000000 5402.000000 1 253.500000 4051.500000 1 253.899994 2701.000000 1 254.775002 5402.000000 1 255.100006 9453.500000 1 255.550003 18907.000000 1 255.899994 9453.500000 1 256.200012 6752.500000 1 256.399994 2701.000000 1 256.799988 1350.500000 1 269.399994 1350.500000 1 270.700012 1350.500000 1 271.200012 2701.000000 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)