MassBank Record: FFF00096



 Dehydroepiandrosterone; LC-APPI-QQ; MS 
Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk) \n

ACCESSION: FFF00096
RECORD_TITLE: Dehydroepiandrosterone; LC-APPI-QQ; MS
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 MS AC$MASS_SPECTROMETRY: ION_MODE POSITIVE AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min
MS$FOCUSED_ION: BASE_PEAK 253.300003 MS$FOCUSED_ION: ION_TYPE [M-2H2O+H]+,[M-H2O+H]+
PK$SPLASH: splash10-0uk9-0090000000-9bc7fe09db6ad3dd2733 PK$NUM_PEAK: 194 PK$PEAK: m/z int. rel.int. 201.178535 9031509.500000 13 203.144138 11378291.500000 16 205.149895 9259585.500000 13 207.163737 8962486.500000 13 208.187256 2919973.000000 4 209.190884 12443646.500000 18 211.201067 25579023.500000 37 213.186349 111883282.000000 160 214.231207 20444312.500000 29 215.188579 13533009.500000 19 216.237500 2904968.000000 4 217.188737 4396465.000000 6 219.138148 6419139.000000 9 221.146940 8237745.000000 12 222.155151 2475825.000000 4 223.172772 9346614.500000 13 224.212778 2958986.000000 4 225.244933 24638210.000000 35 227.232143 16553516.000000 24 228.224113 7230909.500000 10 229.189997 17581358.500000 25 231.199148 26419303.500000 38 232.223122 5872957.000000 8 233.193970 11297264.500000 16 235.175929 19174889.500000 27 237.212423 18117037.000000 26 238.195806 5080693.000000 7 239.228326 15563186.000000 22 241.295374 15957817.500000 23 243.231738 27883791.500000 40 244.251619 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