MassBank Record: FFF00086



 Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:40 V; [M-H2O+H]+ 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00086
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:40 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 0.820900 min
MS$FOCUSED_ION: BASE_PEAK 81.000000 MS$FOCUSED_ION: PRECURSOR_M/Z 271.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0a4j-4920000000-d59d26da45abf064ff6f PK$NUM_PEAK: 221 PK$PEAK: m/z int. rel.int. 39.000000 2701.000000 1 39.299999 1350.500000 1 39.975000 5402.000000 1 40.225000 5402.000000 1 41.100000 49968.500000 7 43.048921 375439.000000 50 43.799999 1350.500000 1 44.549999 2701.000000 1 45.000000 5402.000000 1 45.299999 5402.000000 1 50.400002 1350.500000 1 50.900002 5402.000000 1 51.124999 5402.000000 1 51.799999 1350.500000 1 52.000000 1350.500000 1 52.299999 1350.500000 1 52.750000 13505.000000 2 53.153333 40515.000000 5 53.500000 8103.000000 1 55.055983 948051.000000 127 55.900002 2701.000000 1 57.186765 91834.000000 12 57.599998 1350.500000 1 57.950001 2701.000000 1 58.500000 1350.500000 1 58.700001 8103.000000 1 58.900002 9453.500000 1 59.299999 2701.000000 1 62.400002 2701.000000 1 62.799999 1350.500000 1 63.000000 1350.500000 1 63.200001 1350.500000 1 63.500000 1350.500000 1 64.500000 2701.000000 1 65.137931 78329.000000 10 67.085441 2467363.500000 331 69.118927 956154.000000 128 71.028028 390294.500000 52 72.000000 1350.500000 1 72.750000 2701.000000 1 73.000000 1350.500000 1 73.300003 2701.000000 1 73.699997 1350.500000 1 74.900002 1350.500000 1 75.400002 1350.500000 1 75.699997 2701.000000 1 77.056557 329522.000000 44 79.036370 3646350.000000 489 81.084892 7454760.000000 999 83.083930 1243810.500000 167 84.199997 5402.000000 1 85.004546 89133.000000 12 86.000000 5402.000000 1 87.199997 1350.500000 1 87.900002 2701.000000 1 88.199997 2701.000000 1 88.699997 4051.500000 1 89.699997 18907.000000 3 91.041471 3911048.000000 524 93.089228 5215631.000000 699 95.046323 4186550.000000 561 97.087608 4686235.000000 628 98.599998 2701.000000 1 98.940001 13505.000000 2 99.266668 8103.000000 1 100.400002 1350.500000 1 100.900002 1350.500000 1 101.199997 2701.000000 1 101.549999 2701.000000 1 102.250000 10804.000000 1 102.994737 102638.000000 14 105.025550 6015127.000000 806 107.037451 2765824.000000 371 109.083492 1701630.000000 228 110.183334 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1 192.699997 1350.500000 1 192.899994 1350.500000 1 193.300003 9453.500000 1 194.399994 18907.000000 3 195.227326 232286.000000 31 197.185597 3638247.000000 488 198.238667 1012875.000000 136 199.160534 910237.000000 122 201.151002 270100.000000 36 202.010527 25659.500000 3 203.187976 213379.000000 29 204.550003 2701.000000 1 205.166667 8103.000000 1 205.699997 1350.500000 1 206.899999 4051.500000 1 207.250000 2701.000000 1 207.550003 2701.000000 1 208.199997 12154.500000 2 209.163196 388944.000000 52 211.163464 1996039.000000 267 213.209554 5088684.000000 682 214.564710 45917.000000 6 215.204045 467273.000000 63 215.899994 6752.500000 1 216.287502 10804.000000 1 216.825001 5402.000000 1 217.237499 10804.000000 1 219.800003 1350.500000 1 220.000000 1350.500000 1 220.199997 2701.000000 1 220.550003 2701.000000 1 220.800003 4051.500000 1 221.100006 1350.500000 1 221.399994 6752.500000 1 221.924999 10804.000000 1 223.165237 567210.000000 76 224.249761 282254.500000 38 225.207528 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