ACCESSION: MSBNK-PFOS_research_group-FFF00231
RECORD_TITLE: Dihydrotestosterone; LC-APPI-QQ; MS
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$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$CHROMATOGRAPHY: RETENTION_TIME 0.821067 min

MS$FOCUSED_ION: BASE_PEAK 305.299988
MS$FOCUSED_ION: ION_TYPE [M+CH3]+

PK$SPLASH: splash10-0a4r-0093000000-9d864dd2e2bdcf1eb12f
PK$NUM_PEAK: 116
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//