ACCESSION: MSBNK-RIKEN_NPDepo-CB000337
RECORD_TITLE: Cryptotanshinone; LC-ESI-QQQ; MS; [M+H]+
DATE: 2018.04.04
AUTHORS: Nogawa T, Okano A, CSRS, RIKEN
LICENSE: CC BY
COMMENT: Origin: Plant, Organic chemicals, Polycyclic compounds, Phenanthrenes

CH$NAME: Cryptotanshinone
CH$COMPOUND_CLASS: Polycyclic aromatic natural products
CH$FORMULA: C₁₉H₂₀O₃
CH$EXACT_MASS: 296.3695
CH$SMILES: C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C
CH$IUPAC: InChI=1S/C19H20O3/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/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
CH$LINK: CAS 35825-57-1
CH$LINK: CHEMSPIDER 140851
CH$LINK: INCHIKEY GVKKJJOMQCNPGB-JTQLQIEISA-N
CH$LINK: PUBCHEM CID:160254

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$SPLASH: splash10-0002-0090000000-1d45621e7f069119bb55
PK$NUM_PEAK: 93
PK$PEAK: m/z int. rel.int.
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//