ACCESSION: MSBNK-PFOS_research_group-FFF00212
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS2; CE:10 V; [M+H]+
DATE: 2016.01.19 (Created 2011.04.05, modified 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$NAME: Dihydrotestosterone
CH$COMPOUND_CLASS: Natural Product; Steroid hormone
CH$FORMULA: C₁₉H₃₀O₂
CH$EXACT_MASS: 290.22458
CH$SMILES: O=C(C4)CC([H])(C3)C(C)(C4)C(C2)C(C3)C(C1)C(C)(C2)C(O)C1
CH$IUPAC: InChI=1S/C19H30O2/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/h12,14-17,21H,3-11H2,1-2H3/t12-,14?,15?,16?,17-,18?,19?/m0/s1
CH$LINK: CAS 521-18-6
CH$LINK: LIPIDBANK SST0297
CH$LINK: INCHIKEY NVKAWKQGWWIWPM-FMFZMMAASA-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$FOCUSED_ION: BASE_PEAK 291.100006
MS$FOCUSED_ION: PRECURSOR_M/Z 291.300000
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-0090000000-c6e983bb8b4cb05c804b
PK$NUM_PEAK: 105
PK$PEAK: m/z int. rel.int.
  80.500000 1350.500000 1
  81.199997 1350.500000 1
  90.800003 1350.500000 1
  91.000000 1350.500000 1
  98.900002 1350.500000 1
  100.900002 1350.500000 1
  104.699997 1350.500000 1
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  106.800003 2701.000000 2
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  291.315727 1270820.500000 999
//