MassBank Record: FFF00095



 Dehydroepiandrosterone; 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: FFF00095
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:10 V; [M-2H2O+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 0.820850 min
MS$FOCUSED_ION: BASE_PEAK 253.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 253.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-2H2O+H]+
PK$SPLASH: splash10-0udi-0090000000-07ea3551eabd61ab8a86 PK$NUM_PEAK: 185 PK$PEAK: m/z int. rel.int. 38.000000 1350.500000 1 48.400002 1350.500000 1 59.000000 1350.500000 1 67.199997 2701.000000 1 67.500000 1350.500000 1 68.300003 1350.500000 1 68.750000 2701.000000 1 69.025000 5402.000000 1 69.300003 1350.500000 1 78.699997 1350.500000 1 81.126866 90483.500000 1 82.500000 1350.500000 1 83.035000 27010.000000 1 84.900002 1350.500000 1 90.983334 8103.000000 1 91.199997 2701.000000 1 93.000000 10804.000000 1 93.199997 8103.000000 1 93.500000 6752.500000 1 94.400002 5402.000000 1 94.699997 10804.000000 1 95.034999 27010.000000 1 95.400002 16206.000000 1 96.925001 5402.000000 1 97.300003 2701.000000 1 98.199997 1350.500000 1 99.099998 2701.000000 1 101.900002 1350.500000 1 103.900002 2701.000000 1 104.784617 17556.500000 1 105.199997 14855.500000 1 105.400002 12154.500000 1 106.199997 2701.000000 1 107.115790 51319.000000 1 109.048889 243090.000000 2 110.000000 1350.500000 1 110.400002 1350.500000 1 110.599998 1350.500000 1 110.875002 16206.000000 1 111.325003 10804.000000 1 116.000000 1350.500000 1 116.300003 1350.500000 1 117.026315 51319.000000 1 118.787500 21608.000000 1 119.200000 21608.000000 1 119.900002 1350.500000 1 120.099998 4051.500000 1 120.500000 5402.000000 1 120.880001 40515.000000 1 121.216667 64824.000000 1 122.099998 4051.500000 1 123.048936 126947.000000 1 124.000000 1350.500000 1 124.850002 2701.000000 1 125.149998 2701.000000 1 126.500000 1350.500000 1 126.800003 1350.500000 1 127.900002 1350.500000 1 128.474998 5402.000000 1 129.021432 37814.000000 1 130.000000 2701.000000 1 131.074194 83731.000000 1 131.500000 21608.000000 1 132.150002 2701.000000 1 132.399994 1350.500000 1 133.136365 59422.000000 1 134.000000 1350.500000 1 135.156923 87782.500000 1 137.000000 17556.500000 1 141.058333 16206.000000 1 142.157142 9453.500000 1 143.050680 397047.000000 3 143.899994 2701.000000 1 145.145455 178266.000000 1 145.899994 2701.000000 1 146.100006 6752.500000 1 147.086554 321419.000000 2 148.099998 5402.000000 1 149.145206 197173.000000 1 150.300003 1350.500000 1 151.199997 1350.500000 1 153.199997 1350.500000 1 153.699997 2701.000000 1 154.000000 1350.500000 1 154.199997 1350.500000 1 154.399994 5402.000000 1 154.887495 10804.000000 1 155.244000 33762.500000 1 157.144906 715765.000000 5 157.899994 6752.500000 1 158.300003 9453.500000 1 159.117323 171513.500000 1 159.800003 5402.000000 1 160.100006 1350.500000 1 160.500000 4051.500000 1 161.027085 64824.000000 1 162.100006 1350.500000 1 162.500000 1350.500000 1 165.800003 1350.500000 1 166.899994 2701.000000 1 168.000000 4051.500000 1 168.399994 1350.500000 1 169.193753 43216.000000 1 171.120833 777888.000000 5 173.145003 108040.000000 1 174.300003 1350.500000 1 174.699997 1350.500000 1 175.000000 8103.000000 1 175.199997 5402.000000 1 175.600006 1350.500000 1 177.100006 1350.500000 1 177.699997 1350.500000 1 179.199997 2701.000000 1 180.300003 1350.500000 1 180.699997 4051.500000 1 180.899994 1350.500000 1 181.199997 4051.500000 1 181.399994 4051.500000 1 181.899994 8103.000000 1 183.152174 372738.000000 2 183.825001 5402.000000 1 184.100006 4051.500000 1 184.300003 5402.000000 1 185.122399 337625.000000 2 186.040002 6752.500000 1 187.173684 153957.000000 1 190.899994 1350.500000 1 191.800003 1350.500000 1 192.300003 1350.500000 1 192.600006 1350.500000 1 192.800003 1350.500000 1 193.300003 2701.000000 1 194.550003 5402.000000 1 195.033335 8103.000000 1 195.399994 5402.000000 1 197.163437 1603043.500000 10 198.115383 17556.500000 1 198.416662 8103.000000 1 199.145091 371387.500000 2 204.899994 1350.500000 1 205.899994 2701.000000 1 207.300003 6752.500000 1 207.500000 4051.500000 1 208.399994 1350.500000 1 208.600006 1350.500000 1 209.166665 12154.500000 1 209.699997 4051.500000 1 210.000000 4051.500000 1 211.186957 496984.000000 3 212.199997 5402.000000 1 212.550003 2701.000000 1 217.199997 1350.500000 1 217.500000 1350.500000 1 218.000000 1350.500000 1 220.300003 1350.500000 1 220.779999 13505.000000 1 221.300003 13505.000000 1 221.600006 1350.500000 1 221.899994 1350.500000 1 222.699997 2701.000000 1 222.953843 17556.500000 1 223.399994 13505.000000 1 224.221873 43216.000000 1 225.175892 605024.000000 4 234.777778 12154.500000 1 235.275000 32412.000000 1 235.800003 2701.000000 1 236.100006 1350.500000 1 236.449997 2701.000000 1 236.899994 1350.500000 1 237.500000 1350.500000 1 238.273684 102638.000000 1 238.849998 2701.000000 1 245.699997 1350.500000 1 247.199997 1350.500000 1 247.600006 1350.500000 1 248.100006 1350.500000 1 248.800003 1350.500000 1 249.100006 2701.000000 1 249.399994 1350.500000 1 250.150002 10804.000000 1 250.500000 8103.000000 1 250.899994 14855.500000 1 253.270336 153176411.000000 999 255.349998 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)