MassBank Record: FFF00087



 Dehydroepiandrosterone; 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: FFF00087
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS2; CE:30 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 0.820833 min
MS$FOCUSED_ION: BASE_PEAK 213.199997 MS$FOCUSED_ION: PRECURSOR_M/Z 271.300000 MS$FOCUSED_ION: PRECURSOR_TYPE [M-H2O+H]+
PK$SPLASH: splash10-0h91-2970000000-f0e28af6fee64790b541 PK$NUM_PEAK: 204 PK$PEAK: m/z int. rel.int. 38.500000 1350.500000 1 38.900002 1350.500000 1 39.150000 2701.000000 1 41.000000 8103.000000 1 41.275000 5402.000000 1 41.799999 2701.000000 1 42.099998 1350.500000 1 43.078947 102638.000000 6 45.099998 1350.500000 1 45.299999 2701.000000 1 52.900002 1350.500000 1 53.299999 5402.000000 1 53.700001 2701.000000 1 54.099998 4051.500000 1 55.098742 214729.500000 14 55.900002 1350.500000 1 56.928572 28360.500000 2 57.350000 8103.000000 1 57.799999 1350.500000 1 58.299999 1350.500000 1 59.049999 2701.000000 1 59.450001 2701.000000 1 59.799999 1350.500000 1 62.000000 1350.500000 1 64.500000 1350.500000 1 64.699997 6752.500000 1 65.350002 5402.000000 1 65.649998 2701.000000 1 67.111960 813001.000000 51 67.900002 5402.000000 1 68.300003 6752.500000 1 69.038889 340326.000000 22 70.418183 14855.500000 1 71.046666 101287.500000 6 72.049999 2701.000000 1 72.599998 1350.500000 1 73.000000 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