ACCESSION: MSBNK-RIKEN_NPDepo-CB000409
RECORD_TITLE: Tanshinone II; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant
COMMENT: SubCategory_DNP: Diterpenoids, Abietane diterpenoids

CH$NAME: Tanshinone II
CH$COMPOUND_CLASS: Terpenoids
CH$FORMULA: C₁₉H₁₈O₃
CH$EXACT_MASS: 294.3535
CH$SMILES: Cc1coc2c1C(=O)C(=O)c1c-2ccc2c1CCCC2(C)C
CH$IUPAC: InChI=1S/C19H18O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,9H,4-5,8H2,1-3H3
CH$LINK: CAS 568-72-9
CH$LINK: CHEMSPIDER 144362
CH$LINK: INCHIKEY HYXITZLLTYIPOF-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID60205352
CH$LINK: PUBCHEM CID:164676

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$SPLASH: splash10-0007-0090000000-2681610e96869e670c98
PK$NUM_PEAK: 103
PK$PEAK: m/z int. rel.int.
  234.5000 181679.6094 26
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  312.5000 240850.5313 35
//