ACCESSION: MSBNK-RIKEN_NPDepo-CB000374
RECORD_TITLE: testolactone; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: SubCategory_DNP: : The sterols, Androstanes

CH$NAME: testolactone
CH$COMPOUND_CLASS: Steroids
CH$FORMULA: C₁₉H₂₄O₃
CH$EXACT_MASS: 300.4013
CH$SMILES: C[C@]12CCC3C(CCC4=CC(=O)C=C[C@@]43C)C1CCC(=O)O2
CH$IUPAC: InChI=1S/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14?,15?,16?,18-,19-/m0/s1
CH$LINK: CAS 968-93-4
CH$LINK: CHEMSPIDER 13172 7972127
CH$LINK: INCHIKEY BPEWUONYVDABNZ-WFZCBACDSA-N
CH$LINK: PUBCHEM CID:44331102

AC$INSTRUMENT: ABSciex API3200 LC/MS system
AC$INSTRUMENT_TYPE: LC-ESI-QQQ
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE

MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0udi-0309000000-543b0ee4f0f2671e18bd
PK$NUM_PEAK: 151
PK$PEAK: m/z int. rel.int.
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//